
     RDKit          3D

 68 71  0  0  0  0  0  0  0  0999 V2000
   -4.6207   -3.8920    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5327   -2.9972    0.0305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6934   -2.0382   -0.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4561   -1.0992   -1.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1677   -1.9910   -1.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2091   -2.2555   -0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9099   -1.1956   -0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4890   -0.9972    1.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    0.1427    1.3298 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    0.1080    0.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9411    1.1274   -0.1535 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4357   -1.1123    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677   -1.5198   -0.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7394   -2.6804   -0.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9864   -3.4217    0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7739   -4.6115    0.2093 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4781   -3.0005    1.4528 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7194   -1.8764    1.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0223    1.4053    1.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9522    2.1107    1.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6349    3.3716    1.7175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5469    4.1075    1.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8503    5.0871    2.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0287    5.8319    2.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9245    5.6097    1.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6343    4.6584    0.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4465    3.9107    0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1613    3.0183   -0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2595    3.3571   -1.5385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9160    1.8057   -0.9493 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7579    1.0903   -2.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6540   -0.1582   -2.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7864    1.2284    0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4247   -0.2477    0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6576   -4.4570   -0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5826   -3.3619    0.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4872   -4.6283    0.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8114   -2.5405   -1.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6084   -1.4280   -0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5633   -1.5787   -2.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4799   -2.9849   -1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757   -3.2450   -0.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7701   -2.3383    0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7201   -1.5018   -0.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318   -0.2195   -0.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0021   -1.9232    1.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6597   -0.8112    2.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7680   -0.9536   -1.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1344   -3.0026   -1.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2014   -4.9279   -0.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9524   -5.1659    1.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3436   -1.5788    2.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264    1.1988    2.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9019    2.0755    2.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3344    2.2596    0.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0453    1.4774    1.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1726    5.2588    3.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2494    6.5788    3.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8379    6.1881    1.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3286    4.5229   -0.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942    0.7961   -2.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0308    1.7669   -3.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4613   -0.7039   -3.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7101    0.1891   -2.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8496    1.3250   -0.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6727    1.7491    1.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1068   -0.6699    1.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4355   -0.2413    0.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  9 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 32  4  1  0
 34  4  1  0
 18 12  1  0
 27 22  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  3 38  1  0
  3 39  1  0
  5 40  1  0
  5 41  1  0
  6 42  1  0
  6 43  1  0
  7 44  1  0
  7 45  1  0
  8 46  1  0
  8 47  1  0
 13 48  1  0
 14 49  1  0
 16 50  1  0
 16 51  1  0
 18 52  1  0
 19 53  1  0
 19 54  1  0
 20 55  1  0
 20 56  1  0
 23 57  1  0
 24 58  1  0
 25 59  1  0
 26 60  1  0
 31 61  1  0
 31 62  1  0
 32 63  1  0
 32 64  1  0
 33 65  1  0
 33 66  1  0
 34 67  1  0
 34 68  1  0
M  END
$$$$
