Mal-Val-Cit-Glucuronide-PEG8-PABC
                    3D
 Structure written by MMmdl.
144146  0  0  1  0            999 V2000
    0.0608    8.8925   -4.0760 N   0  0  0  0  0  0
    1.1435    9.5540   -4.4859 C   0  0  0  0  0  0
    0.9117   11.0355   -4.5215 C   0  0  1  0  0  0
    2.1917    8.9930   -4.7914 O   0  0  0  0  0  0
    2.1695   11.7312   -4.2650 N   0  0  0  0  0  0
    0.3899   11.4277   -5.8720 C   0  0  0  0  0  0
    2.7152   11.9267   -3.0643 C   0  0  0  0  0  0
    4.0104   12.6778   -3.1559 C   0  0  1  0  0  0
    2.1984   11.5292   -2.0242 O   0  0  0  0  0  0
    3.9026   13.9569   -2.3799 C   0  0  0  0  0  0
    5.1161   11.8392   -2.5865 C   0  0  0  0  0  0
    6.4113   12.5902   -2.6781 C   0  0  0  0  0  0
    5.2238   10.5600   -3.3624 C   0  0  0  0  0  0
    2.7970   14.7956   -2.9493 C   0  0  0  0  0  0
    2.5690   16.1140   -2.2714 C   0  0  0  0  0  0
    2.1224   14.4267   -3.9082 O   0  0  0  0  0  0
    1.4702   16.8157   -2.9287 N   0  0  0  0  0  0
    1.6412   17.6493   -3.9519 C   0  0  0  0  0  0
    0.3333   18.1102   -4.2876 C   0  0  0  0  0  0
   -0.5378   17.5296   -3.4514 C   0  0  0  0  0  0
    0.1966   16.6863   -2.5652 C   0  0  0  0  0  0
   -0.2340   15.9815   -1.6531 O   0  0  0  0  0  0
    2.7119   17.9453   -4.4810 O   0  0  0  0  0  0
   -0.0432    7.4434   -3.9314 C   0  0  0  0  0  0
    1.1074    6.6718   -3.8200 C   0  0  0  0  0  0
    1.0084    5.2923   -3.6823 C   0  0  0  0  0  0
   -0.2412    4.6845   -3.6560 C   0  0  0  0  0  0
   -1.3918    5.4561   -3.7674 C   0  0  0  0  0  0
   -1.2928    6.8355   -3.9051 C   0  0  0  0  0  0
   -0.3480    3.1957   -3.5074 C   0  0  0  0  0  0
   -0.9975    2.6693   -4.6053 O   0  0  0  0  0  0
   -2.7404    4.8001   -3.7390 C   0  0  0  0  0  0
   -3.5335    5.3373   -2.5847 C   0  0  0  0  0  0
   -2.8098    5.0482   -1.3031 C   0  0  2  0  0  0
   -2.6397    3.6337   -1.1711 O   0  0  0  0  0  0
   -1.9198    3.2370    0.0000 C   0  0  1  0  0  0
   -2.6777    3.6942    1.2611 C   0  0  2  0  0  0
   -2.9565    5.2065    1.2314 C   0  0  1  0  0  0
   -3.6111    5.5937   -0.1054 C   0  0  1  0  0  0
   -1.7682    1.7447   -0.0000 C   0  0  0  0  0  0
   -0.4867    1.3765   -0.0000 N   0  0  0  0  0  0
   -2.6936    0.9382   -0.0000 O   0  0  0  0  0  0
   -3.7321    6.9649   -0.2022 O   0  0  0  0  0  0
   -3.7596    5.5746    2.2915 O   0  0  0  0  0  0
   -1.9605    3.3597    2.3916 O   0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0
    1.9600    0.6505   -1.1268 O   0  0  0  0  0  0
    3.3336    0.7170   -1.2419 C   0  0  0  0  0  0
    3.6950    1.4449   -2.5027 C   0  0  0  0  0  0
    5.0686    1.5114   -2.6178 O   0  0  0  0  0  0
    5.5286    2.1619   -3.7446 C   0  0  0  0  0  0
    7.0286    2.1619   -3.7446 C   0  0  0  0  0  0
    7.4886    2.8125   -4.8713 O   0  0  0  0  0  0
    7.2797    2.1409   -6.0587 C   0  0  0  0  0  0
    7.8240    2.9541   -7.1955 C   0  0  0  0  0  0
    7.6151    2.2825   -8.3829 O   0  0  0  0  0  0
    8.0751    2.9330   -9.5096 C   0  0  0  0  0  0
    7.7857    2.0984  -10.7220 C   0  0  0  0  0  0
    8.5925    0.9789  -10.7130 O   0  0  0  0  0  0
    8.4190    0.1264  -11.7842 C   0  0  0  0  0  0
    9.3513   -1.0411  -11.6502 C   0  0  0  0  0  0
    9.1778   -1.8936  -12.7215 O   0  0  0  0  0  0
    7.9816   -2.5816  -12.7316 C   0  0  0  0  0  0
    7.9237   -3.4660  -13.9417 C   0  0  0  0  0  0
    8.8249   -4.5012  -13.7985 O   0  0  0  0  0  0
    8.8658   -5.3891  -14.8541 C   0  0  0  0  0  0
    9.8802   -6.4570  -14.5701 C   0  0  0  0  0  0
    9.9211   -7.3450  -15.6257 O   0  0  0  0  0  0
   10.8224   -8.3802  -15.4825 C   0  0  0  0  0  0
   -0.8198    9.3130   -3.8155 H   0  0  0  0  0  0
    0.1836   11.3078   -3.7575 H   0  0  0  0  0  0
    2.5594   12.0403   -5.1439 H   0  0  0  0  0  0
   -0.5491   10.9083   -6.0635 H   0  0  0  0  0  0
    0.2214   12.5043   -5.8978 H   0  0  0  0  0  0
    1.1180   11.1554   -6.6360 H   0  0  0  0  0  0
    4.2265   12.9034   -4.2002 H   0  0  0  0  0  0
    4.8438   14.5027   -2.4465 H   0  0  0  0  0  0
    3.6866   13.7313   -1.3356 H   0  0  0  0  0  0
    4.9000   11.6135   -1.5422 H   0  0  0  0  0  0
    6.6273   12.8159   -3.7224 H   0  0  0  0  0  0
    6.3329   13.5197   -2.1142 H   0  0  0  0  0  0
    7.2147   11.9808   -2.2643 H   0  0  0  0  0  0
    5.4399   10.7857   -4.4067 H   0  0  0  0  0  0
    6.0273    9.9506   -2.9487 H   0  0  0  0  0  0
    4.2827   10.0143   -3.2959 H   0  0  0  0  0  0
    3.4748   16.7168   -2.3351 H   0  0  0  0  0  0
    2.3176   15.9454   -1.2242 H   0  0  0  0  0  0
    0.1166   18.8073   -5.0842 H   0  0  0  0  0  0
   -1.6106   17.6560   -3.4262 H   0  0  0  0  0  0
    2.0803    7.1450   -3.8405 H   0  0  0  0  0  0
    1.9042    4.6916   -3.5956 H   0  0  0  0  0  0
   -2.1886    7.4363   -3.9918 H   0  0  0  0  0  0
   -0.9114    2.9602   -2.6045 H   0  0  0  0  0  0
    0.6507    2.7652   -3.4351 H   0  0  0  0  0  0
   -1.2787    3.3399   -5.2917 H   0  0  0  0  0  0
   -2.6182    3.7229   -3.6258 H   0  0  0  0  0  0
   -3.2663    5.0102   -4.6703 H   0  0  0  0  0  0
   -4.5135    4.8606   -2.5640 H   0  0  0  0  0  0
   -3.6558    6.4145   -2.6979 H   0  0  0  0  0  0
   -1.8379    5.5407   -1.3789 H   0  0  0  0  0  0
   -0.9091    3.6505   -0.0190 H   0  0  0  0  0  0
   -3.6206    3.1486    1.3265 H   0  0  0  0  0  0
   -2.0198    5.7547    1.3536 H   0  0  0  0  0  0
   -4.6262    5.1951   -0.1459 H   0  0  0  0  0  0
    0.3041    2.0048    0.0000 H   0  0  0  0  0  0
   -4.6700    7.3016   -0.2852 H   0  0  0  0  0  0
   -3.3494    6.2313    2.9243 H   0  0  0  0  0  0
   -2.4195    2.7216    3.0099 H   0  0  0  0  0  0
   -0.3633   -0.5138    0.8900 H   0  0  0  0  0  0
   -0.3633   -0.5138   -0.8900 H   0  0  0  0  0  0
    1.8633   -1.0277    0.0000 H   0  0  0  0  0  0
    1.8633    0.5138    0.8900 H   0  0  0  0  0  0
    3.7447   -0.2919   -1.2743 H   0  0  0  0  0  0
    3.7447    1.2495   -0.3843 H   0  0  0  0  0  0
    3.2839    2.4539   -2.4703 H   0  0  0  0  0  0
    3.2839    0.9124   -3.3603 H   0  0  0  0  0  0
    5.1652    3.1896   -3.7446 H   0  0  0  0  0  0
    5.1652    1.6481   -4.6346 H   0  0  0  0  0  0
    7.3919    1.1343   -3.7446 H   0  0  0  0  0  0
    7.3919    2.6758   -2.8546 H   0  0  0  0  0  0
    6.2110    1.9832   -6.2037 H   0  0  0  0  0  0
    7.7879    1.1772   -6.0253 H   0  0  0  0  0  0
    8.8927    3.1118   -7.0505 H   0  0  0  0  0  0
    7.3157    3.9178   -7.2289 H   0  0  0  0  0  0
    9.1503    3.0902   -9.4249 H   0  0  0  0  0  0
    7.5734    3.8961   -9.6034 H   0  0  0  0  0  0
    7.9844    2.6822  -11.6208 H   0  0  0  0  0  0
    6.7396    1.7925  -10.7112 H   0  0  0  0  0  0
    8.6342    0.6587  -12.7107 H   0  0  0  0  0  0
    7.3894   -0.2310  -11.8012 H   0  0  0  0  0  0
    9.1361   -1.5734  -10.7237 H   0  0  0  0  0  0
   10.3809   -0.6837  -11.6333 H   0  0  0  0  0  0
    7.1546   -1.8721  -12.7602 H   0  0  0  0  0  0
    7.9058   -3.1918  -11.8316 H   0  0  0  0  0  0
    8.1757   -2.8849  -14.8288 H   0  0  0  0  0  0
    6.9177   -3.8721  -14.0471 H   0  0  0  0  0  0
    9.1424   -4.8582  -15.7650 H   0  0  0  0  0  0
    7.8844   -5.8454  -14.9833 H   0  0  0  0  0  0
    9.6036   -6.9879  -13.6592 H   0  0  0  0  0  0
   10.8617   -6.0008  -14.4409 H   0  0  0  0  0  0
   10.7803   -9.0228  -16.3618 H   0  0  0  0  0  0
   11.8284   -7.9740  -15.3771 H   0  0  0  0  0  0
   10.5703   -8.9612  -14.5954 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 71  1  0  0  0
  2  3  1  0  0  0
  2  4  2  0  0  0
  3  5  1  0  0  0
  3  6  1  0  0  0
  3 72  1  0  0  0
  5  7  1  0  0  0
  5 73  1  0  0  0
  6 74  1  0  0  0
  6 75  1  0  0  0
  6 76  1  0  0  0
  7  8  1  0  0  0
  7  9  2  0  0  0
  8 10  1  0  0  0
  8 11  1  0  0  0
  8 77  1  0  0  0
 10 14  1  0  0  0
 10 78  1  0  0  0
 10 79  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 11 80  1  0  0  0
 12 81  1  0  0  0
 12 82  1  0  0  0
 12 83  1  0  0  0
 13 84  1  0  0  0
 13 85  1  0  0  0
 13 86  1  0  0  0
 14 15  1  0  0  0
 14 16  2  0  0  0
 15 17  1  0  0  0
 15 87  1  0  0  0
 15 88  1  0  0  0
 17 21  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 23  2  0  0  0
 19 20  2  0  0  0
 19 89  1  0  0  0
 20 21  1  0  0  0
 20 90  1  0  0  0
 21 22  2  0  0  0
 24 29  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 91  1  0  0  0
 26 27  2  0  0  0
 26 92  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 32  1  0  0  0
 29 93  1  0  0  0
 30 31  1  0  0  0
 30 94  1  0  0  0
 30 95  1  0  0  0
 31 96  1  0  0  0
 32 33  1  0  0  0
 32 97  1  0  0  0
 32 98  1  0  0  0
 33 34  1  0  0  0
 33 99  1  0  0  0
 33100  1  0  0  0
 34 39  1  0  0  0
 34 35  1  0  0  0
 34101  1  0  0  0
 35 36  1  0  0  0
 36 37  1  0  0  0
 36 40  1  0  0  0
 36102  1  0  0  0
 37 38  1  0  0  0
 37 45  1  0  0  0
 37103  1  0  0  0
 38 39  1  0  0  0
 38 44  1  0  0  0
 38104  1  0  0  0
 39 43  1  0  0  0
 39105  1  0  0  0
 40 41  1  0  0  0
 40 42  2  0  0  0
 41 46  1  0  0  0
 41106  1  0  0  0
 43107  1  0  0  0
 44108  1  0  0  0
 45109  1  0  0  0
 46 47  1  0  0  0
 46110  1  0  0  0
 46111  1  0  0  0
 47 48  1  0  0  0
 47112  1  0  0  0
 47113  1  0  0  0
 48 49  1  0  0  0
 49 50  1  0  0  0
 49114  1  0  0  0
 49115  1  0  0  0
 50 51  1  0  0  0
 50116  1  0  0  0
 50117  1  0  0  0
 51 52  1  0  0  0
 52 53  1  0  0  0
 52118  1  0  0  0
 52119  1  0  0  0
 53 54  1  0  0  0
 53120  1  0  0  0
 53121  1  0  0  0
 54 55  1  0  0  0
 55 56  1  0  0  0
 55122  1  0  0  0
 55123  1  0  0  0
 56 57  1  0  0  0
 56124  1  0  0  0
 56125  1  0  0  0
 57 58  1  0  0  0
 58 59  1  0  0  0
 58126  1  0  0  0
 58127  1  0  0  0
 59 60  1  0  0  0
 59128  1  0  0  0
 59129  1  0  0  0
 60 61  1  0  0  0
 61 62  1  0  0  0
 61130  1  0  0  0
 61131  1  0  0  0
 62 63  1  0  0  0
 62132  1  0  0  0
 62133  1  0  0  0
 63 64  1  0  0  0
 64 65  1  0  0  0
 64134  1  0  0  0
 64135  1  0  0  0
 65 66  1  0  0  0
 65136  1  0  0  0
 65137  1  0  0  0
 66 67  1  0  0  0
 67 68  1  0  0  0
 67138  1  0  0  0
 67139  1  0  0  0
 68 69  1  0  0  0
 68140  1  0  0  0
 68141  1  0  0  0
 69 70  1  0  0  0
 70142  1  0  0  0
 70143  1  0  0  0
 70144  1  0  0  0
M  END
> <s_m_entry_id>
125

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
