
     RDKit          3D

 59 62  0  0  0  0  0  0  0  0999 V2000
    2.8330   -2.1464    2.8073 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6409   -1.0861    2.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171   -0.1716    2.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5985    0.0239    1.3841 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4183   -1.0472    1.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1700   -2.3984    0.8342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8454   -3.2088    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8226   -2.7964   -1.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2093   -2.8625   -2.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9378   -1.5123   -2.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2521   -1.1384   -0.7991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6355    0.1563   -0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8819    0.3311    0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2913    1.5991    0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4572    2.7024    0.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2074    2.5411   -0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7718    1.2648   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4893    1.0719   -1.1431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4341    1.9813   -1.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634    2.7017   -2.1071 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9720    3.5798   -2.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7078    3.7540   -0.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3540    3.0319    0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2677    2.1434    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0693    1.3514    1.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5027   -0.7596    1.0684 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6517   -1.3741    0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8616   -0.2622   -0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0490    0.4490   -0.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    0.3435    0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9980    0.7875    2.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9749   -0.5590    3.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1570   -0.7499    0.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9827   -1.1626    2.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0963   -2.2502    0.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4411   -2.9806    1.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8599   -3.0913    0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5887   -4.2901    0.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3895   -1.7774   -1.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1405   -3.4934   -2.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8449   -3.6476   -1.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0648   -3.1489   -3.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8838   -1.5990   -2.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3081   -0.7432   -2.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5310   -0.5248    0.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2503    1.7270    1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7733    3.6833    0.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5746    3.4102   -0.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330    4.1341   -2.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5441    4.4411   -0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348    3.1563    1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2170    1.9379    2.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1731    1.2763    1.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5039   -1.5160    1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3498   -2.3223   -0.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831   -0.5363   -1.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7794   -0.1583   -0.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    0.4411   -0.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9352    1.2935    0.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
  2 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 25  4  1  0
 30 26  1  0
 17 12  1  0
 24 19  1  0
  3 31  1  0
  3 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  7 38  1  0
  8 39  1  0
  8 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 13 45  1  0
 14 46  1  0
 15 47  1  0
 16 48  1  0
 21 49  1  0
 22 50  1  0
 23 51  1  0
 25 52  1  0
 25 53  1  0
 27 54  1  0
 27 55  1  0
 28 56  1  0
 29 57  1  0
 30 58  1  0
 30 59  1  0
M  END
$$$$
