LYADC0003
     RDKit          3D

154167  0  0  1  0  0  0  0  0999 V2000
    3.1376    0.6390    5.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2478    0.7054    4.4083 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.8778    0.7403    6.4309 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0437    2.4619    1.8065 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.5220    0.6073    1.4440 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.0886    0.8185    3.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7151    0.8551    5.6627 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1923    0.9602    2.0390 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0953    0.2015    0.1007 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.8263    0.8741    4.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7539   -0.2463   -0.4573 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.0215    0.0270    1.3094 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2913    0.8211    3.3391 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.3783   -0.6753   -0.1187 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2594    0.4733    1.8297 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6944   -2.3056    0.3688 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.3585   -7.8169    2.7147 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.5007   -1.0363   -1.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3819   -6.0770    4.1989 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.2428   -7.3208    1.7535 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.3130   -5.4206    1.6533 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.7847   -6.2986    2.7098 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4261   -6.4263    1.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0646   -4.1800    1.0400 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.0590   -8.1643    1.0293 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3589    2.9822   -1.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0044    1.7685    0.8704 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4198   -1.7416    4.2743 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.6896   -2.8380    4.9466 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.7654   -3.9627    2.1068 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.6813   -3.6723    0.1453 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.2173   -3.0910   -2.2054 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.5131   -3.8122    1.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3105   -5.6751    1.4608 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.8592   -7.1935   -0.1666 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.1199   -9.2614   -0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0402   -8.2518   -0.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714   -6.5181   -0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -4.4293   -0.3365 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4753   -2.2266   -1.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0802    2.5456   -0.5390 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0927    0.9102    2.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1924   -1.1283    3.0786 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.5591   -3.6015    4.2996 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4720   -4.1195    3.0497 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.9318   -3.3447   -1.3669 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.6863   -2.8892   -2.4680 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.5983   -3.2127   -1.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536   -2.9305    0.5848 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.6644   -6.0291    0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710   -8.3950   -0.7319 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.4254   -5.3750   -1.1475 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2465   -3.4079   -1.2737 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1214   -7.4708   -1.0207 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.6986   -4.6191   -1.9742 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6481   -3.0021   -0.6517 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.0880   -8.9293   -2.1158 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.9162   -1.6382    0.4320 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2957   -6.0258   -2.2028 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7332   -4.3404   -2.4040 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.5797   -0.1328   -0.0699 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.5039   -5.7103   -3.0023 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.4658    1.3019   -0.5411 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.6037    2.7044   -1.1965 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6558    5.6098   -6.8364 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.1879    5.6763   -6.7737 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7853    6.0450   -5.6775 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.5977    4.8201   -1.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1615    5.9990   -5.6610 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.3142    6.5711   -4.2907 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.6731    4.8859   -2.6282 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4692    6.0722   -4.2682 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2884    7.0837   -3.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5591    8.0447   -2.2119 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6168    7.7162   -1.1262 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.6557    6.7365    3.6763 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.4578    7.2073    5.0740 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6717    6.9251   -3.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8327    8.2312   -1.6655 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0423    6.9725    0.1524 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.4665    6.7682    2.7159 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0190    7.2959    5.6345 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4705    6.8845    0.2015 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.1500    7.1353    4.6760 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.1015    5.7232   -0.3225 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6511    7.2057    5.1871 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3487    0.5039    6.6154 N   0  0  0  0  0  1  0  0  0  0  0  0
    1.1475   -0.8822    1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9989   -3.3552    2.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1115  -10.0156    0.6239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552   -1.4459   -1.1401 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.1597   -1.4298   -2.5052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2475   -5.1685   -0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7345   -0.3835    1.8479 N   0  0  0  0  0  2  0  0  0  0  0  0
    9.7527   -3.0453   -0.1783 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.3549   -4.5841    3.7818 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3449   -2.8588   -2.6327 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5473   -5.1478    1.5153 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.0294   -8.9279   -1.0483 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7995   -2.1726    5.3242 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9419   -4.0006    1.4473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8319   -1.9851   -3.1889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7027    1.3797    3.0196 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5531   -3.3227   -2.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2481   -5.5323   -0.8574 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6791    4.0718   -1.8705 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.4363    5.5214   -0.5506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8435    8.5136   -3.3919 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.8270    8.0018   -1.2874 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.5557    5.8236    3.4536 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.4730    7.5394    5.8026 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.9471    4.8169   -3.8228 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0911    7.9602   -2.3315 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9001    7.2493    6.9364 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.3001    7.7125   -2.5355 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2874    8.4133   -1.8812 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8830    8.1673   -0.3443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1518    7.0544    3.2248 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146    4.6365   -0.9956 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.0063    7.2458    5.4984 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.8599    6.8719    1.2629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8836   -5.6656    1.9146 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.1037   -5.5723   -0.2391 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.0367   -5.1284   -1.6902 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.1837   -5.1139    3.2424 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.3668   -1.2384   -0.8826 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.8910   -3.5506    4.5957 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.8915   -3.8181   -4.3886 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.5115   -1.0060    6.9696 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.4498    0.1704   -0.6695 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.8081   -2.8032   -4.7615 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.1819   -2.0459    4.9498 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.5995   -1.6816   -1.9635 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.9920    1.0392   -1.5876 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.8388   -0.7971   -2.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0196    0.5688   -2.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9685   -1.2116   -3.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7172   -0.8529   -4.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6085    0.1020   -4.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4849    1.2797   -3.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5096   -0.1248   -5.1141 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1947    1.9120   -3.3231 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.3296    0.6119   -5.0923 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.1172    1.6357   -4.1537 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.7428   -5.9836    0.8750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7239   -4.8903    4.5057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2590   -4.6283   -3.1276 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.1531   -0.7354    5.5981 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.4975   -2.1195   -4.8239 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6392   -2.4222   -5.8657 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5826   -1.6384   -5.6594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5803    1.9327   -2.7885 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9394    1.4432   -2.8144 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.4626    4.1678   -2.0909 C   0  0  0  0  0  2  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  1 87  1  0
  2  6  1  0
  3  7  2  0
  5  8  1  0
  5  9  1  0
  6  8  1  0
  6 10  2  0
  7 10  1  0
  8  4  1  1
  8 12  1  0
  9 11  1  0
 10 13  1  0
 11 14  1  0
 12 14  1  0
 12 15  1  0
 12 88  1  1
 13 15  1  0
 14 16  1  1
 14 18  1  0
 17 22  1  0
 18 91  1  0
 18 92  2  0
 19 22  1  0
 20 23  2  0
 20 25  1  0
 21 23  1  0
 21 24  1  0
 23 38  1  0
 24 39  1  0
 25 37  2  0
 26152  1  0
 26 41  1  0
 26154  2  0
 27 41  1  0
 27 42  1  0
 28 43  1  0
 28100  1  0
 29 44  1  0
 29100  1  0
 30 45  1  0
 30101  1  0
 31 46  1  0
 31101  1  0
 32 47  1  0
 32 48  1  0
 33 49  1  0
 33 89  2  0
 33 98  1  0
 34 22  1  0
 34 50  1  0
 34 98  1  0
 35 50  1  0
 36 51  1  0
 36 90  2  0
 36 99  1  0
 37 54  1  0
 37 99  1  0
 38 52  1  0
 38 54  2  0
 39 52  1  0
 39 53  1  0
 39 93  1  1
 40 53  1  0
 40 91  1  0
 40102  2  0
 42 94  1  0
 42103  2  0
 43 94  1  0
 44 96  1  0
 45 96  1  0
 46 97  1  0
 47 97  1  0
 48 95  1  0
 48104  2  0
 49 58  1  0
 49 95  1  0
 50105  2  0
 51 35  1  0
 51 57  1  0
 52 55  1  6
 52 59  1  0
 53 56  1  1
 53 60  1  0
 58 61  1  0
 59 62  1  0
 60 62  1  0
 61 63  1  0
 63 64  1  0
 64106  1  0
 65 66  1  0
 65 67  1  0
 66 69  1  0
 67 70  1  0
 68 71  1  0
 68106  1  0
 68107  2  0
 69 72  1  0
 70 73  1  0
 71112  1  0
 72 78  1  0
 72112  1  0
 73 78  2  0
 73113  1  0
 74 75  1  0
 74 79  1  0
 74108  1  0
 75 80  1  0
 75109  1  0
 76 77  1  0
 76 81  1  0
 76110  1  0
 77 82  1  0
 77111  1  0
 78115  1  0
 79117  1  0
 80 83  1  0
 80121  1  0
 81118  1  0
 81121  1  0
 82 84  1  0
 82114  1  0
 83 85  1  0
 83117  1  0
 84 86  1  0
 84118  1  0
 85119  1  0
 86120  1  0
113 79  1  0
113116  1  0
115116  2  0
122125  1  0
122145  1  0
123124  1  0
123145  1  0
124147  1  0
125146  1  0
126130  2  0
126133  1  0
127132  1  0
127146  1  0
128131  1  0
128147  1  0
129148  1  0
130134  1  0
131149  1  0
132148  1  0
133135  2  0
134136  2  0
135136  1  0
135137  1  0
136153  1  0
137138  2  0
137149  1  0
138139  1  0
138151  1  0
139140  2  0
139141  1  0
140142  1  0
140152  1  0
141143  2  0
142144  2  0
143144  1  0
149150  1  0
150151  2  0
153152  1  0
M  RAD  8   2   2   3   2   4   2   5   3   7   2   9   3  11   3  13   3
M  RAD  8  15   3  16   2  17   2  19   2  20   2  21   3  22   2  24   3
M  RAD  8  25   2  27   3  28   3  29   3  30   3  31   3  32   3  34   2
M  RAD  8  35   3  41   3  43   3  44   3  45   3  46   3  47   3  49   2
M  RAD  8  51   2  54   2  55   2  56   2  57   2  58   3  59   3  60   3
M  RAD  8  61   3  62   3  63   3  64   3  65   3  66   3  67   3  69   3
M  RAD  8  70   3  71   3  72   2  74   2  75   2  76   2  77   2  79   2
M  RAD  8  80   2  81   2  82   2  83   2  84   2  85   3  86   3  87   3
M  RAD  8  91   2  94   2  95   2  98   2  99   2 106   2 108   2 109   2
M  RAD  8 110   2 111   2 114   2 119   2 120   2 122   3 123   3 124   3
M  RAD  8 125   3 126   2 127   3 128   3 129   2 130   2 131   3 132   3
M  RAD  8 133   2 134   2 141   2 142   2 143   2 144   2 147   3 148   2
M  RAD  2 153   3 154   3
M  END
$$$$
