
     RDKit          3D

 75 78  0  0  0  0  0  0  0  0999 V2000
   -8.8090    1.0775    0.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7569    1.4438   -0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6340    0.7194   -0.6088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8398    1.2647   -1.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5072    0.6787   -1.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4604    1.1873   -0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6921    2.1060   -1.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3645    0.7214    0.4007 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0267    1.7059    1.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6682    1.4308    2.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5176    1.3417    1.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514    1.1642    1.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8628    0.2543    1.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2498    0.3959    1.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3505   -0.3392    0.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520    0.1985   -0.4279 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5653   -0.4424   -1.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8940    0.0480   -0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2523    1.3961   -0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    1.8435   -0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2994    0.9789    0.3639 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9783   -0.3336    0.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7678   -0.8222    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1823   -0.0178   -1.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0244    0.7106   -0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3795   -1.1917    1.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6705   -1.8907    2.1244 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5387   -1.7224    0.1251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0139   -3.0354    0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2007   -3.2179   -0.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8718   -4.4129   -0.4439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2186   -2.0463   -0.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6508   -0.9330   -1.3644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6669   -1.6793    0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7986   -0.6360    0.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3237    2.4413   -2.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8041    2.7903   -1.4221 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6101    1.8451    0.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3583    1.0047    1.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2524    0.0982    0.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5586   -0.4273   -1.9178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2369    0.9705   -2.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0187    2.7390    1.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8170    1.6983    2.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7290    0.4938    2.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4563    2.2560    2.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7157    0.4980    0.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4945    2.2642    0.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2877    2.1782    1.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102    0.7452    2.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153    0.0159    2.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5357    1.4701    1.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3051   -0.1760    1.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1505   -1.4351    0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4938   -1.5529   -1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5184   -0.1823   -2.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5926    2.0897   -1.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7586    2.8813   -0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6611   -0.9964    1.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5148   -1.8663    0.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9547   -1.1049   -1.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2620    0.3921   -2.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2286    1.8046   -0.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948    0.5352   -1.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7771   -3.7802   -0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3632   -3.2266    1.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7911   -3.2878   -1.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3012   -5.1572   -0.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1267   -2.3689   -1.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6945   -1.1024   -2.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0384   -2.6055    1.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070   -1.3316    1.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1465   -0.6152    1.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6777   -0.9727    0.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8323    3.0309   -2.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 16 24  1  0
 24 25  1  0
 13 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
  4 36  2  0
 36 37  1  0
 37  2  1  0
 35  8  1  0
 25 13  1  0
 23 18  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  5 41  1  0
  5 42  1  0
  9 43  1  0
  9 44  1  0
 10 45  1  0
 10 46  1  0
 11 47  1  0
 11 48  1  0
 12 49  1  0
 12 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 17 55  1  0
 17 56  1  0
 19 57  1  0
 20 58  1  0
 22 59  1  0
 23 60  1  0
 24 61  1  0
 24 62  1  0
 25 63  1  0
 25 64  1  0
 29 65  1  0
 29 66  1  0
 30 67  1  0
 31 68  1  0
 32 69  1  0
 33 70  1  0
 34 71  1  0
 34 72  1  0
 35 73  1  0
 35 74  1  0
 36 75  1  0
M  END
$$$$
