Mal-Cyc-PEG3-DAB
                    3D
 Structure written by MMmdl.
105111  0  0  1  0            999 V2000
   -2.0789   -6.9140  -10.8953 C   0  0  0  0  0  0
   -2.0217   -6.4697   -9.4638 C   0  0  0  0  0  0
   -2.9628   -5.5393   -8.9780 C   0  0  0  0  0  0
   -2.9122   -5.1203   -7.6314 C   0  0  0  0  0  0
   -1.9149   -5.6358   -6.7787 C   0  0  0  0  0  0
   -0.9731   -6.5663   -7.2621 C   0  0  0  0  0  0
   -1.0277   -6.9831   -8.6069 C   0  0  0  0  0  0
   -3.8848   -4.1423   -7.1018 C   0  0  0  0  0  0
   -3.9194   -3.7436   -5.8702 N   0  0  0  0  0  0
   -3.0590   -4.2466   -4.9252 N   0  0  0  0  0  0
   -1.9150   -5.1304   -5.3008 B   0  0  0  0  0  0
   -1.1961   -5.8923   -4.2554 O   0  0  0  0  0  0
   -2.9888   -3.5395   -3.6497 C   0  0  0  0  0  0
   -3.9242   -2.3672   -3.6757 C   0  0  0  0  0  0
   -3.4887   -1.3683   -2.9075 N   0  0  0  0  0  0
   -4.9692   -2.3084   -4.3170 O   0  0  0  0  0  0
   -4.1658   -0.0891   -2.7156 C   0  0  0  0  0  0
   -3.8540    0.4413   -1.3476 C   0  0  0  0  0  0
   -2.4912    0.6189   -1.2226 O   0  0  0  0  0  0
   -2.0762    1.1062   -0.0000 C   0  0  0  0  0  0
   -0.5832    1.2507   -0.0000 C   0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0
    1.3800    0.0000    0.0000 C   0  0  0  0  0  0
    1.8800   -1.4142    0.0000 C   0  0  0  0  0  0
    3.2600   -1.4142   -0.0000 O   0  0  0  0  0  0
    3.8432   -2.6649    0.0000 C   0  0  0  0  0  0
    5.3362   -2.5204   -0.0000 C   0  0  0  0  0  0
    5.9533   -3.8436    0.0000 N   0  0  0  0  0  0
    6.7759   -4.2545   -0.9905 N   0  0  0  0  0  0
    7.1459   -5.4657   -0.6951 N   0  0  0  0  0  0
    6.5394   -5.8569    0.5015 C   0  0  0  0  0  0
    5.7821   -4.8217    0.9489 C   0  0  0  0  0  0
    4.9882   -4.7124    2.1574 C   0  0  0  0  0  0
    3.9566   -5.6471    2.4182 C   0  0  0  0  0  0
    3.4890   -6.6348    1.3470 C   0  0  0  0  0  0
    4.3515   -7.7763    0.9735 N   0  0  0  0  0  0
    5.6688   -7.9982    1.4820 C   0  0  0  0  0  0
    6.7530   -7.1369    1.1650 C   0  0  0  0  0  0
    3.2740   -5.6015    3.6534 C   0  0  0  0  0  0
    3.6096   -4.6343    4.6197 C   0  0  0  0  0  0
    4.6251   -3.6981    4.3526 C   0  0  0  0  0  0
    5.3120   -3.7392    3.1253 C   0  0  0  0  0  0
    8.0583   -7.4706    1.5810 C   0  0  0  0  0  0
    8.2944   -8.6400    2.3274 C   0  0  0  0  0  0
    7.2218   -9.4856    2.6625 C   0  0  0  0  0  0
    5.9177   -9.1703    2.2357 C   0  0  0  0  0  0
    3.8906   -8.6178    0.0237 C   0  0  0  0  0  0
    4.8970   -9.6774   -0.3142 C   0  0  0  0  0  0
    2.7825   -8.5321   -0.5082 O   0  0  0  0  0  0
    4.7339  -10.0765   -1.7091 N   0  0  0  0  0  0
    4.4209  -11.5010   -1.7751 C   0  0  0  0  0  0
    4.2535  -11.9103   -3.2084 C   0  0  0  0  0  0
    3.1652  -11.1446   -3.8092 N   0  0  0  0  0  0
    1.8962  -11.5456   -3.8020 C   0  0  0  0  0  0
    1.1717  -10.5222   -4.4829 C   0  0  0  0  0  0
    2.0435   -9.5753   -4.8552 C   0  0  0  0  0  0
    3.3419   -9.9752   -4.4193 C   0  0  0  0  0  0
    4.4102   -9.3822   -4.5651 O   0  0  0  0  0  0
    1.4620  -12.5847   -3.3062 O   0  0  0  0  0  0
   -4.1647   -6.8220  -11.5227 I   0  0  0  0  0  0
   -1.7511   -7.9477  -11.0058 H   0  0  0  0  0  0
   -1.5140   -6.2446  -11.5440 H   0  0  0  0  0  0
   -3.7219   -5.1502   -9.6412 H   0  0  0  0  0  0
   -0.2126   -6.9592   -6.6030 H   0  0  0  0  0  0
   -0.3078   -7.6968   -8.9813 H   0  0  0  0  0  0
   -4.6150   -3.7268   -7.7971 H   0  0  0  0  0  0
   -1.5383   -5.7597   -3.3251 H   0  0  0  0  0  0
   -1.9703   -3.1880   -3.4848 H   0  0  0  0  0  0
   -3.2750   -4.2150   -2.8436 H   0  0  0  0  0  0
   -2.6371   -1.3743   -2.3645 H   0  0  0  0  0  0
   -5.2422   -0.2294   -2.8142 H   0  0  0  0  0  0
   -3.8214    0.6208   -3.4677 H   0  0  0  0  0  0
   -4.1984   -0.2685   -0.5955 H   0  0  0  0  0  0
   -4.3595    1.3963   -1.2042 H   0  0  0  0  0  0
   -2.3742    0.4137    0.7872 H   0  0  0  0  0  0
   -2.5354    2.0785    0.1785 H   0  0  0  0  0  0
   -0.2711    1.7972    0.8900 H   0  0  0  0  0  0
   -0.2711    1.7972   -0.8900 H   0  0  0  0  0  0
    1.7433    0.5138    0.8900 H   0  0  0  0  0  0
    1.7433    0.5138   -0.8900 H   0  0  0  0  0  0
    1.5167   -1.9280   -0.8900 H   0  0  0  0  0  0
    1.5167   -1.9280    0.8900 H   0  0  0  0  0  0
    3.5311   -3.2114   -0.8900 H   0  0  0  0  0  0
    3.5311   -3.2114    0.8900 H   0  0  0  0  0  0
    5.6484   -1.9740    0.8900 H   0  0  0  0  0  0
    5.6484   -1.9740   -0.8900 H   0  0  0  0  0  0
    3.2807   -6.0557    0.4452 H   0  0  0  0  0  0
    2.5196   -7.0311    1.6576 H   0  0  0  0  0  0
    2.4787   -6.3020    3.8628 H   0  0  0  0  0  0
    3.0829   -4.6067    5.5629 H   0  0  0  0  0  0
    4.8871   -2.9584    5.0951 H   0  0  0  0  0  0
    6.1161   -3.0410    2.9437 H   0  0  0  0  0  0
    8.8780   -6.8074    1.3432 H   0  0  0  0  0  0
    9.2966   -8.8798    2.6520 H   0  0  0  0  0  0
    7.4004  -10.3809    3.2408 H   0  0  0  0  0  0
    5.1077   -9.8415    2.4844 H   0  0  0  0  0  0
    4.7446  -10.5424    0.3314 H   0  0  0  0  0  0
    5.9026   -9.2846   -0.1639 H   0  0  0  0  0  0
    5.5898   -9.8956   -2.2138 H   0  0  0  0  0  0
    3.4965  -11.6955   -1.2313 H   0  0  0  0  0  0
    5.2334  -12.0727   -1.3266 H   0  0  0  0  0  0
    4.0198  -12.9738   -3.2577 H   0  0  0  0  0  0
    5.1779  -11.7158   -3.7522 H   0  0  0  0  0  0
    0.1048  -10.5382   -4.6526 H   0  0  0  0  0  0
    1.8332   -8.6607   -5.3906 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 60  1  0  0  0
  1 61  1  0  0  0
  1 62  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 63  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  2  0  0  0
  6 64  1  0  0  0
  7 65  1  0  0  0
  8  9  2  0  0  0
  8 66  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 12 67  1  0  0  0
 13 14  1  0  0  0
 13 68  1  0  0  0
 13 69  1  0  0  0
 14 15  1  0  0  0
 14 16  2  0  0  0
 15 17  1  0  0  0
 15 70  1  0  0  0
 17 18  1  0  0  0
 17 71  1  0  0  0
 17 72  1  0  0  0
 18 19  1  0  0  0
 18 73  1  0  0  0
 18 74  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 75  1  0  0  0
 20 76  1  0  0  0
 21 22  1  0  0  0
 21 77  1  0  0  0
 21 78  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 79  1  0  0  0
 23 80  1  0  0  0
 24 25  1  0  0  0
 24 81  1  0  0  0
 24 82  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 83  1  0  0  0
 26 84  1  0  0  0
 27 28  1  0  0  0
 27 85  1  0  0  0
 27 86  1  0  0  0
 28 32  1  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 30 31  1  0  0  0
 31 32  2  0  0  0
 31 38  1  0  0  0
 32 33  1  0  0  0
 33 34  2  0  0  0
 33 42  1  0  0  0
 34 35  1  0  0  0
 34 39  1  0  0  0
 35 36  1  0  0  0
 35 87  1  0  0  0
 35 88  1  0  0  0
 36 37  1  0  0  0
 36 47  1  0  0  0
 37 38  2  0  0  0
 37 46  1  0  0  0
 38 43  1  0  0  0
 39 40  2  0  0  0
 39 89  1  0  0  0
 40 41  1  0  0  0
 40 90  1  0  0  0
 41 42  2  0  0  0
 41 91  1  0  0  0
 42 92  1  0  0  0
 43 44  2  0  0  0
 43 93  1  0  0  0
 44 45  1  0  0  0
 44 94  1  0  0  0
 45 46  2  0  0  0
 45 95  1  0  0  0
 46 96  1  0  0  0
 47 48  1  0  0  0
 47 49  2  0  0  0
 48 50  1  0  0  0
 48 97  1  0  0  0
 48 98  1  0  0  0
 50 51  1  0  0  0
 50 99  1  0  0  0
 51 52  1  0  0  0
 51100  1  0  0  0
 51101  1  0  0  0
 52 53  1  0  0  0
 52102  1  0  0  0
 52103  1  0  0  0
 53 57  1  0  0  0
 53 54  1  0  0  0
 54 55  1  0  0  0
 54 59  2  0  0  0
 55 56  2  0  0  0
 55104  1  0  0  0
 56 57  1  0  0  0
 56105  1  0  0  0
 57 58  2  0  0  0
M  END
> <s_m_entry_id>
32

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
