LYADC000425
     RDKit          3D

170181  0  0  1  0  0  0  0  0999 V2000
    1.9514   -4.8630    4.1869 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.1532   -4.4509    3.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0751   -6.2915    4.4855 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.5665   -4.8973    2.2018 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.6034   -3.5107    0.6752 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5704   -6.1501   -2.2375 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.6965   -1.8278   -1.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1636   -0.1519   -0.3412 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4904   -7.1039   -1.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5854   -5.0225   -2.0988 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.5310   -6.6405    4.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3298   -5.4165    2.9754 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9408   -5.4947   -2.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6524    1.2617   -0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9334   -8.6994    5.0186 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.4245   -2.8534   -0.1083 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.8073   -7.9439   -1.5859 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8495   -3.3760   -1.5949 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9439   -3.7084   -1.3728 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.2134   -6.3282   -2.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9215   -9.1787   -0.8084 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2314   -3.8270   -1.4920 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4752   -3.4223   -0.7664 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.9566  -10.5292   -0.0987 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.6189   -4.2002   -1.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8136   -3.8789   -0.6281 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.8678  -11.9332    0.6355 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9746   -5.4410   -1.9927 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.1788   -5.1506   -0.9583 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.5154    0.0685   -2.3790 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.0251    1.4553   -3.2484 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.9461    2.6156   -3.0839 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0822    3.7723   -2.7922 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7501  -13.4398    1.1595 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.2823   -5.9682   -1.7245 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.5705    3.9789   -2.5833 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0269    1.0842    8.0419 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2362    4.7053    4.9759 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2301    5.0424    3.0824 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2884    4.6288   -1.0680 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4584  -15.3652    0.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3334    2.4432    7.7549 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9933    4.1161    6.4404 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8142    4.9045    2.3764 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3313    4.7817    0.5001 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8507  -14.7543    1.0994 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7212   -1.0190    8.3693 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.6516   -5.3891    6.9757 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.6827   -6.4120    5.0518 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3672   -8.5444    0.7996 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4920  -10.7200    0.7210 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.6872   -2.1482    8.4978 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2552   -4.1350    7.8025 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4304   -6.4013    3.5039 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7209   -7.3696    1.5427 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0537  -11.9906    1.5722 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.0272  -13.8947    1.6398 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.3812   -3.6450    5.2996 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4390   -3.3151    3.1310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2889   -6.7998   -0.1258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6412   -1.0347   -1.4201 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9801   -7.2022   -1.6236 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7772   -4.1697   -1.8448 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5902    1.6924   -0.7262 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.2318   -7.0806    5.7519 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0110   -5.5311    3.3857 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2693   -2.6180   -0.6374 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4173   -4.2530    1.4337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3013   -6.9737   -2.4157 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.5048   -1.5721   -0.6162 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.2164   -7.5586    4.6122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2696    1.9999    0.7790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9118   -6.2478   -2.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4315   -6.5805   -3.8145 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3711    3.8391   -3.0383 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0993    0.7775   -3.5379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6557    3.5865    7.6261 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995    4.7198    1.8558 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5273  -16.1380   -0.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4879  -14.8668    1.4870 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.6314   -0.0776    8.2856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3798    5.1429    3.7459 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3298    4.4075   -2.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8459   -3.1800    8.6093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1933   -6.2598    2.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8300  -13.0701    2.3469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8861   -6.5561    6.3914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8980   -9.5882    0.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0122    0.5910  -12.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2426    0.9999    3.0270 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.5742    2.0286    3.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5053    1.0228  -11.8411 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0889    1.0094    3.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2749    1.8727    3.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1396    1.3500  -12.1227 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0787    0.7955  -14.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2742    1.7866    4.7104 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.2129    2.1760  -11.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1057    2.2467  -14.7247 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.0241    2.6492    4.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1141    3.6127    4.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1193    4.8866    4.3256 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2340    2.5846    5.2204 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.3834    6.2293    3.5407 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.3315    5.8944    5.3985 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4517    7.3835    3.4041 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.9914    8.2545    1.2162 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2462    3.3362   -8.9818 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.0591    9.6649    0.4946 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.5794    7.2064    4.5137 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4655   12.0925    1.0612 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.6247    4.5462   -7.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9179    8.7022    2.0581 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.9593   10.6551    0.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8107    9.8681   -1.6647 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7541    3.4872   -6.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8708   10.0859    1.3178 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.9574    8.8920   -2.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1996    3.7394   -5.2786 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2373    8.3230   -3.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554    6.6576   -4.7600 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4065    7.9193   -4.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8340    6.4080   -5.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0089    4.5747   -5.1259 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2777    8.1923   -9.0425 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.1280    8.9893   -5.2960 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.9976    7.4791   -6.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5152    8.7692   -6.5133 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.9085    1.4926  -11.9164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2816   -0.6240  -12.5185 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.6555    0.1143  -15.1760 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5218    2.8318    3.6792 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9891    2.1425  -11.2568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4919    0.4535  -12.9693 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.8994    3.4428    5.2543 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0298    4.5704    5.2822 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8882    3.0431  -10.3336 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.9218    7.6101    2.0503 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9496    3.2622   -6.6435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7858    4.6568   -8.4406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8686    3.7206   -7.6831 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5263   10.9599   -0.9554 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4459    5.1288   -6.2022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6761    7.3225   -8.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2588    3.4241    0.7800 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.3465    4.2282    0.3372 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.6331    3.6868    0.4234 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.8492    2.4083    0.8918 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.7673    1.6438    1.3066 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4860    2.0924    1.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2137    0.1707    3.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6677    0.4202    3.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2990   -0.5871    4.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7865   -2.0109    4.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5768   -2.2017    3.7876 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0556   -1.1181    3.1935 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5067    1.5211    3.8037 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.3015    1.2776    4.8814 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.2211    0.0208    5.3671 N   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0899   -2.8853    5.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5992   -3.2989    3.8971 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.6298    0.8636   -0.7329 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.9856    0.7930   -0.6226 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5860   -0.0317    2.3827 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5938    0.0350    3.4216 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.5831   -1.0157    3.4114 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4545   -1.0327    4.4170 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4162    1.0199    0.6364 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.2454    1.2561    1.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5554   -3.9169    6.7334 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  1 58  1  0
  2 59  2  0
  2 66  1  0
  3 11  1  0
  3 65  1  0
  4 12  1  0
  4 68  1  0
  5 16  1  0
  5 68  1  0
  6 13  1  0
  6 69  1  0
  7 18  1  0
  7 61  2  0
  7 70  1  0
  8 14  1  0
  8 70  1  0
  9 17  1  0
  9 60  2  0
  9 69  1  0
 10 19  1  0
 10 20  1  0
 11 66  1  0
 11 71  2  0
 12 66  1  0
 13 63  1  0
 13 73  2  0
 14 64  1  0
 14 72  2  0
 15 65  1  0
 16 67  1  0
 17 21  1  0
 17 62  1  0
 18 22  1  0
 18 63  1  0
 19 67  1  0
 20 62  1  0
 20 74  2  0
 21 24  1  0
 22 25  1  0
 23 25  2  0
 23 26  1  0
 24 27  1  0
 25 28  1  0
 26 29  2  0
 27 34  1  0
 28 35  2  0
 29 35  1  0
 30 76  1  0
 31 32  1  0
 31 76  1  0
 32 75  1  0
 33 36  1  0
 33 75  1  0
 34 80  1  0
 36 83  1  0
 37 42  1  0
 37 81  1  0
 38 43  1  0
 38 82  1  0
 39 44  1  0
 39 82  1  0
 40 45  1  0
 40 83  1  0
 41 46  1  0
 41 79  2  0
 41 80  1  0
 42 77  1  0
 43 77  1  0
 44 78  1  0
 45 78  1  0
 46 57  1  0
 47 52  1  0
 47 81  1  0
 48 53  1  0
 48 87  1  0
 49 54  1  0
 49 87  1  0
 50 55  1  0
 50 88  1  0
 51 56  1  0
 51 88  1  0
 52 84  1  0
 53 84  1  0
 54 85  1  0
 55 85  1  0
 56 86  1  0
 57 86  1  0
 58170  1  0
 64162  1  0
 89 92  1  0
 89129  2  0
 89130  1  0
 90 93  2  0
 90 94  1  0
 91 94  2  0
 91132  1  0
 93 97  1  0
 93151  1  0
 94100  1  0
 95 92  1  0
 95 98  1  0
 95134  1  0
 96 99  1  0
 96131  2  0
 96134  1  0
 97103  2  0
 98133  2  0
 98137  1  0
100103  1  0
100135  2  0
101132  2  0
101135  1  0
101136  1  0
102104  1  0
102136  1  0
104106  1  0
105110  1  0
105136  1  0
106110  1  0
106138  1  0
107109  1  0
107138  1  0
108137  1  0
108141  1  0
109114  1  0
111114  1  0
112140  2  0
112141  1  0
112143  1  0
113117  1  0
113138  1  0
114117  1  0
114142  1  0
115118  1  0
115142  1  0
116119  1  0
116139  2  0
116141  1  0
118120  3  0
119124  1  0
120122  1  0
121122  2  0
121123  1  0
122126  1  0
123127  2  0
123143  1  0
124143  1  0
125144  1  0
126128  2  0
127128  1  0
127144  1  0
145146  2  0
146147  1  0
147148  2  0
148149  1  0
149150  2  0
150145  1  0
152153  2  0
152157  1  0
152151  1  0
153154  1  0
154155  1  0
154160  2  0
155156  1  0
155161  1  0
156151  2  0
157158  2  0
158159  1  0
159153  1  0
162163  1  0
163168  1  0
164165  1  0
165166  1  0
166167  1  0
167165  1  0
168169  1  0
169 91  1  0
169150  1  0
169164  1  0
M  RAD  8   1   2   3   2   4   3   5   3   6   3   8   3  10   3  12   3
M  RAD  8  15   2  16   3  17   2  18   2  19   3  21   3  22   3  23   2
M  RAD  8  24   3  26   2  27   3  28   2  29   2  30   2  31   3  32   3
M  RAD  8  33   3  34   3  35   2  36   3  37   3  38   3  39   3  40   3
M  RAD  8  42   3  43   3  44   3  45   3  46   3  47   3  48   3  49   3
M  RAD  8  50   3  51   3  52   3  53   3  54   3  55   3  56   3  57   3
M  RAD  8  62   2  63   2  64   2  69   2  70   2  80   2  90   2  92   3
M  RAD  8  95   2  97   2  99   2 102   3 103   2 104   3 105   3 106   2
M  RAD  8 107   3 108   3 109   3 110   3 111   2 113   3 115   3 117   3
M  RAD  8 119   3 121   2 124   3 125   2 126   2 128   2 130   2 134   2
M  RAD  8 137   2 142   2 145   2 146   2 147   2 148   2 149   2 156   2
M  RAD  8 157   2 158   2 159   2 161   2 162   3 165   2 166   3 167   3
M  RAD  2 168   3 170   2
M  END
$$$$
