Gly-calicheamicin
     RDKit          2D

100106  0  0  1  0  0  0  0  0999 V2000
   13.1219   -1.9562    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.2634    2.4192    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8552    0.7647    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5284   -0.6993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3043   -0.3983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897    3.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5496   -2.9848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5523    2.3298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3177   -0.6816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2902    2.9857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9302   -3.4097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4075    1.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0154    5.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226   -5.1889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6152   -2.0979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0872    5.4507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8605    0.4886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0951   -2.5227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3565   -4.9676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8471    0.2054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3066    1.9409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0180   -0.1673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6260    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6126    3.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6862   -0.8701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6957    1.3115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4953   -0.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4209    1.7632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8084   -5.8545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4442    1.0429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2730   -3.2952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7043   -2.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9417    0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    1.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6964    3.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0590    2.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6803   -1.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5631   -3.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4324   -4.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1870   -1.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9257   -4.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1729    4.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7835    2.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6528    4.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1461    3.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7701    2.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1763    3.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9008    1.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6777   -7.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6849   -5.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6664    3.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5248   -0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5030   -4.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9730    4.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0537   -8.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5970    5.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7709    2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3089   -7.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0719    4.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5289    4.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2021    2.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6018   -2.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7325   -3.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9778   -1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2392   -3.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0775    3.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4845   -0.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8874    1.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3001    7.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3807    0.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7749    6.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7507    1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3699   -4.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0046   -0.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3672    0.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    2.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7433    1.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0129    0.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4979   -0.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3989    7.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1956    8.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7055    8.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7191   -3.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1353   -1.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6329   -1.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4953    4.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1059    3.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2549   -1.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7374   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6179   -2.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6479   -0.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1686   -2.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8087   -3.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2400   -3.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3444   -4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7756   -3.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.8801   -4.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.3113   -4.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8022   -7.5018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 80  1  0
  2 47  1  0
  2 69  1  0
  3  4  1  0
  3 73  1  0
  4 86  1  0
  5 33  1  0
  5 38  1  0
  6 36  1  0
  6 37  1  0
  7 38  1  0
  7 42  1  0
  8 37  1  0
  8 48  1  0
  9 34  1  0
 10 28  1  0
 10 44  1  0
 11 39  1  0
 11 54  1  0
 12 44  1  0
 12 49  1  0
 13 46  1  0
 14 51  2  0
 15 66  1  0
 15 68  1  0
 16 57  1  0
 17 68  1  0
 17 76  1  0
 18 63  1  0
 18 84  1  0
 19 64  1  0
 20 65  1  0
 21 62  2  0
 22 69  2  0
 23 77  1  0
 23 87  1  0
 24 78  1  0
 24 88  1  0
 25 79  1  0
 25 89  1  0
 26 79  2  0
 27 93  2  0
 28 35  1  0
 29 40  1  0
 29 50  1  0
 29 51  1  0
 30 58  1  0
 30 79  1  0
 31 32  1  0
 31 93  1  0
 32 94  1  0
 33 34  1  0
 33 37  1  0
 34 35  1  0
 35 36  1  0
 36 43  1  0
 38 41  1  0
 39 40  1  0
 39 41  1  0
 40 42  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 49  1  0
 48 52  1  0
 48 60  1  0
 49 53  1  0
 50 56  1  0
 51 59  1  0
 52 55  1  0
 52 58  2  0
 55 57  1  0
 55 67  2  0
 57 61  1  0
 57 70  1  0
 58 62  1  0
 59100  1  0
 60 72  3  0
 61 62  1  0
 63 64  1  0
 63 65  1  0
 64 66  1  0
 65 68  1  0
 66 74  1  0
 67 73  1  0
 69 71  1  0
 70 82  3  0
 71 75  2  0
 71 77  1  0
 72 81  1  0
 75 80  1  0
 75 85  1  0
 76 78  1  0
 76 80  2  0
 77 78  2  0
 81 83  2  0
 82 83  1  0
 86 90  1  0
 86 91  1  0
 86 92  1  0
 90 93  1  0
 94 95  1  0
 95 96  1  0
 96 97  1  0
 97 98  1  0
 98 99  1  0
M  END
>  <s_m_entry_id>  (1) 
68

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
