LYADC000465
     RDKit          3D

126137  0  0  1  0  0  0  0  0999 V2000
    7.2426    0.8546   11.2524 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.2427   -3.8436   10.4851 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.5564   -5.6318   12.1238 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.9455   -7.2336    2.9286 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6391   -5.1838    3.5513 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.6784   -0.5662   11.1497 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.3302    2.1338    9.5914 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.5384   -1.5174    8.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7991    1.9606    8.1552 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4175   -6.7033    7.5080 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3490   -7.3086    1.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6992   -5.2171    2.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3824   -3.7844    9.6278 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.2454    0.6913    7.3442 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.8949   -6.8320   -1.1313 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3295   -0.4202    7.9240 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3176   -4.9648    9.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7620   -5.2477    3.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4057   -2.9295    7.3012 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.5854   -7.0734   -0.7068 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.2308   -2.7304   10.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2807   -2.5729   11.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3074   -7.3422    0.6294 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6754   -7.0961    1.1740 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.5551   -6.5535    4.1253 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8868   -3.8407    8.4300 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2114   -7.2952    6.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9366   -6.8715   -0.1967 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5465   -3.6576    1.2365 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.4212   -2.8827   10.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7992   -5.6083    2.9159 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3424   -1.8271   10.7783 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6008   -2.3598   12.2683 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458   -8.5142    6.1446 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4842   -4.3495    8.0247 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8834   -5.2558   11.4593 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4391   -4.8357    1.2707 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.7135    2.0258   10.8688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4037   -5.1596    4.4807 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.9201   -1.1911    9.5528 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1419    1.6365    7.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6035   -6.2395    8.9075 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.8095   -4.6314   10.3131 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1920   -4.5581    2.8891 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5808   -2.6626    7.8229 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.5069   -6.5234    5.1186 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.2365   -0.9960   -0.1866 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.6157   -0.1259   -1.0950 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.4752   -2.0325    0.3568 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8314   -3.0374   -3.9914 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.7781    2.9869    2.8034 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2377   -0.2073   -1.3512 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1107   -2.1322    0.0640 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6981   -2.1809   -4.5170 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4613   -1.2057   -0.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3146   -1.9297   -3.2339 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.6418    2.6706    2.1057 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.2256    2.7689    4.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4271    2.6989    5.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9237   -1.2776   -0.9879 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6387    2.5218    3.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2439   -1.8503    0.2115 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1579    2.1205    2.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0995    1.1338    0.8709 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.3253    0.1139   -1.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6600    2.0811    4.0581 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.3555    2.2578    1.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4886    1.2141   -0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9093    2.3867    6.2995 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.9226    3.4702    1.1226 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0820    2.4513   -0.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3108    1.4634   -2.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    2.0950   -5.1475 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3138    3.5786   -0.1324 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.6994    3.4412   -5.9206 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.3812    2.5215   -4.2465 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3635    4.4098   -5.7842 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.0175    6.2947   -4.2608 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3128   -1.1103   -9.1705 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.9732    7.2808   -3.5215 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.4667    3.8274   -5.0504 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2324   -1.5923   -8.0311 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.6653   -0.5862  -10.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867    6.3197   -6.0981 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7907   -1.5104   -9.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2348    7.8586   -4.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5941    6.0062   -3.1514 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8174   -0.3734   -7.4319 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7758    4.5270   -3.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2716    7.2755   -5.4527 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2202    9.4445   -4.1241 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.1521    3.6447   -4.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2603    2.0593   -6.0823 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.5471   -0.0154  -11.5104 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7260    3.1533   -5.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6928    1.8362   -7.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7704    0.8712   -9.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4023   -0.0593  -11.3375 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3864   -0.2998  -12.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3901    1.0819  -10.5794 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.6664    3.9947   -5.9256 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.7118    2.6706   -7.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017    2.1759   -9.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1735    3.7730   -7.1860 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.6623    2.5815   -9.2702 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.5312    3.1220    4.1136 N   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8853   -2.4973    1.3267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8306    2.8981    6.7536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6212   -2.2104   -2.0697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0684    2.2974    5.3415 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6992    0.2463   -2.4542 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5188    2.5795   -2.1352 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2515    1.5569   -4.1379 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1749    5.8512   -5.6934 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3671   -2.5339   -9.9190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7769   -0.6509  -11.5899 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.8428   -0.2182  -10.6390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6899    0.0234  -12.6136 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4333    7.4811   -3.2796 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1437    0.7357   -8.1317 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9918   -0.2420  -10.0708 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0670    1.8837  -10.1597 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.5722  -13.8171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2724    2.3435   -9.1430 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2613    2.8501   -9.2893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0102    2.5125   -9.1019 N   0  0  0  0  0  1  0  0  0  0  0  0
  1  6  1  0
  1 38  1  0
  2 22  1  0
  2 36  1  0
  3 36  1  0
  4 11  1  0
  5 12  1  0
  5 39  1  0
  6 32  1  0
  7  9  1  0
  7 38  1  0
  8 45  1  0
  8 40  2  0
  9 41  1  0
 10 27  1  0
 10 42  1  0
 11 24  2  0
 12 31  2  0
 12 37  1  0
 13  2  1  0
 13 35  1  0
 13 21  1  0
 14 41  1  0
 15 28  2  0
 16  8  1  0
 16 14  1  0
 17 26  1  0
 17 43  2  0
 17 42  1  0
 18 39  1  0
 18 25  1  0
 18 44  2  0
 19 35  1  0
 20 15  1  0
 21 30  2  0
 21 32  1  0
 22 32  1  0
 22 33  2  0
 23 11  1  0
 23 20  2  0
 24 28  1  0
 25  4  1  0
 25 46  1  0
 26 45  1  0
 27 34  2  0
 27 46  1  0
 29 37  1  0
 29107  1  0
 47 48  2  0
 47 49  1  0
 48 52  1  0
 49 53  2  0
 50 54  1  0
 50 56  1  0
 51 57  2  0
 51106  1  0
 52 55  2  0
 53 55  1  0
 54 56  1  0
 56109  1  0
 57 61  1  0
 58 59  1  0
 58 61  2  0
 58106  1  0
 59108  2  0
 59110  1  0
 60 55  1  0
 60 62  1  1
 60 65  1  0
 60109  1  0
 61 63  1  0
 62107  1  0
 63 66  2  0
 63 67  1  0
 64 67  2  0
 64 68  1  0
 65 68  2  0
 65111  1  0
 66110  1  0
 67 70  1  0
 68 71  1  0
 69110  1  0
 70 74  2  0
 71 74  1  0
 71112  2  0
 72111  2  0
 72112  1  0
 72113  1  0
 73 75  1  0
 73113  1  0
 75 77  1  0
 76 81  1  0
 76113  1  0
 77 81  1  0
 77114  1  0
 78 80  1  0
 78114  1  0
 79 83  1  0
 80 86  1  0
 82 85  1  0
 82 88  1  0
 83116  1  0
 83117  2  0
 84 90  1  0
 84114  1  0
 85115  2  0
 85121  1  0
 86 90  1  0
 86 91  1  0
 86119  1  0
 87 89  1  0
 87119  1  0
 88120  1  0
 89 92  3  0
 92 95  1  0
 93 95  2  0
 93 96  1  0
 94 99  1  0
 94100  1  0
 94116  1  0
 95101  1  0
 96102  2  0
 96120  1  0
 97120  1  0
 97121  1  0
 97122  2  0
 98118  1  0
 98121  1  0
 99118  1  0
 99123  2  0
100103  1  0
101104  2  0
102104  1  0
102124  1  0
103125  2  0
103126  1  0
105124  1  0
M  RAD  8   1   3   2   2   3   2   4   3   5   3   6   3   7   3   9   3
M  RAD  8  10   3  13   2  14   3  15   2  16   3  19   2  20   2  23   2
M  RAD  8  24   2  25   2  26   3  28   2  29   3  37   2  39   2  42   2
M  RAD  8  45   2  46   2  47   2  48   2  49   2  50   3  51   2  52   2
M  RAD  8  53   2  54   3  56   2  57   2  62   3  64   2  66   2  69   2
M  RAD  8  70   2  73   3  74   2  75   3  76   3  77   2  78   3  79   2
M  RAD  8  80   3  81   3  82   3  84   3  87   3  88   3  90   3  91   2
M  RAD  8  93   2  94   2  98   3 100   3 101   2 104   2 105   2 106   2
M  RAD  4 116   2 118   2 119   2 126   3
M  END
$$$$
