
     RDKit          3D

 72 76  0  0  0  0  0  0  0  0999 V2000
   -1.0657   -3.0682    0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -2.1394    0.1485 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040   -1.4761   -1.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5177   -0.0842   -0.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1802    0.3281   -2.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4242    1.2069   -1.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100    0.5357   -1.0110 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7204    1.1134   -0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8655    2.3544   -1.0169 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8952    0.2854   -0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0536   -1.0768   -0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2603   -1.4960   -0.3084 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407   -2.8750   -0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8593   -0.4214    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1037   -0.3612    0.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5252    0.8791    1.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7056    2.0191    1.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542    1.9320    0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    0.6906    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9516   -0.5279   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5599   -0.1706    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5920    1.0233   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0085    1.2854    1.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9935    0.1029    1.8312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3881    2.0327    1.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2719    3.1394    2.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5942    1.1469    1.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7126    1.0983    0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8985    1.8238    0.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9810    1.6884   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8871    0.8332   -1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7077    0.1187   -1.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6148    0.2576   -0.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4187   -0.4119   -0.7886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2804   -1.8234   -0.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2932   -2.1786    0.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7543   -2.5278    1.4592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920   -4.0918    0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0106   -3.1223    0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0796   -2.7431    2.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9211   -1.3490   -1.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4435   -2.1767   -1.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5195   -0.5666   -2.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5330    0.8469   -2.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8772    1.4080   -2.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1332    2.1801   -1.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3293   -1.7236   -1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2560   -3.4468   -1.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8437   -2.8984   -0.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5032   -3.3612    0.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7283   -1.2381    0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4817    0.9610    1.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0416    2.9663    1.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8242    2.8068    0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383   -0.6281    0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219   -1.4993   -0.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6697    0.8207    0.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2764   -0.8716    1.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4775    0.8482   -1.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2081    2.0024   -0.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2275    1.9678    1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9612    0.3741    2.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    2.4646    0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0293    2.7894    2.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3047    0.1045    1.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9981    1.5204    2.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9957    2.4739    1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8970    2.2367    0.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7293    0.7302   -1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6379   -0.5327   -2.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9468   -2.2060   -1.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2610   -2.3039   -0.5220 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  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  7 20  1  0
 20 21  1  0
  4 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 36  2  1  0
 21  4  1  0
 33 28  1  0
 19 10  1  0
 19 14  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  3 41  1  0
  3 42  1  0
  5 43  1  0
  5 44  1  0
  6 45  1  0
  6 46  1  0
 11 47  1  0
 13 48  1  0
 13 49  1  0
 13 50  1  0
 15 51  1  0
 16 52  1  0
 17 53  1  0
 18 54  1  0
 20 55  1  0
 20 56  1  0
 21 57  1  0
 21 58  1  0
 22 59  1  0
 22 60  1  0
 23 61  1  0
 24 62  1  0
 25 63  1  0
 26 64  1  0
 27 65  1  0
 27 66  1  0
 29 67  1  0
 30 68  1  0
 31 69  1  0
 32 70  1  0
 35 71  1  0
 35 72  1  0
M  END
$$$$
