
     RDKit          3D

 84 86  0  0  0  0  0  0  0  0999 V2000
   -6.9932   -2.9500   -0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5451   -3.0264   -0.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2224   -4.4557   -1.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5901   -2.5510    0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0865   -2.5077   -0.0450 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2646   -1.9475    1.0541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2280   -2.8713    1.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1545   -3.1237    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2731   -3.0843    1.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2933   -3.2924   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032   -2.7681    0.2784 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0893   -1.5049   -0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2902   -1.4245   -0.5757 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2178   -0.2577   -0.1989 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6651    0.7092    0.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1205    1.1119    0.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0444    0.5947    1.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3854    0.9886    1.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8177    1.8915    0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9073    2.4020   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5630    2.0198   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2318    0.3877   -1.5212 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1324    1.1446   -2.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0085    1.2121   -3.3259 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1959    1.9605   -1.2088 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6936    3.4088   -1.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1784    1.9152   -1.7238 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9763    0.7358   -1.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447   -0.3901   -1.7465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4260    0.8676   -1.1161 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5266    1.2528    0.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1038    2.6772    0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8436    3.7521    0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4430    5.0684    0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3131    5.3283    1.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9051    6.6373    1.3998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5884    4.2641    1.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9775    2.9451    1.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2672   -0.3135   -1.3841 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8506   -1.6873   -1.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3443   -2.2429   -2.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7003   -3.2465   -1.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2392   -1.9081    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1376   -3.6239    0.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4611   -2.3474   -1.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9900   -4.7967   -1.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2390   -4.4833   -1.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2135   -5.1626   -0.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9038   -1.5332    0.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7035   -3.2196    1.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7781   -3.5597   -0.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8554   -1.6728    1.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7584   -2.4234    2.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6893   -3.8327    1.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350   -4.1115   -0.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2306   -2.3540   -0.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4461   -2.1070    1.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3958   -3.8849    1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9607   -2.8078   -1.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783   -4.3845   -0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3103   -3.4610    0.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1738   -0.5640    0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    1.6283    0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4541    0.2199    1.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7279   -0.1102    2.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0892    0.5941    2.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8561    2.1925    0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2385    3.0997   -0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8711    2.4287   -0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0067    0.1457   -2.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1688    1.5621   -0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6822    3.4589   -0.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9744    4.0401   -0.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7977    3.8258   -2.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6824    2.8112   -1.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8587    1.6942   -1.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9175    0.5532    0.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5802    1.1429    0.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7313    3.5690   -0.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0169    5.8833   -0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4054    7.4260    1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2854    4.4568    2.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3996    2.1346    1.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2999   -0.1486   -1.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  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
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 14 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
 30 39  1  0
 39 40  1  0
 40 41  2  0
 40  5  1  0
 21 16  1  0
 38 32  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  3 46  1  0
  3 47  1  0
  3 48  1  0
  4 49  1  0
  4 50  1  0
  5 51  1  6
  6 52  1  0
  7 53  1  0
  7 54  1  0
  8 55  1  0
  8 56  1  0
  9 57  1  0
  9 58  1  0
 10 59  1  0
 10 60  1  0
 11 61  1  0
 14 62  1  1
 15 63  1  0
 15 64  1  0
 17 65  1  0
 18 66  1  0
 19 67  1  0
 20 68  1  0
 21 69  1  0
 22 70  1  0
 25 71  1  1
 26 72  1  0
 26 73  1  0
 26 74  1  0
 27 75  1  0
 30 76  1  6
 31 77  1  0
 31 78  1  0
 33 79  1  0
 34 80  1  0
 36 81  1  0
 37 82  1  0
 38 83  1  0
 39 84  1  0
M  END
$$$$
