NBE-002
                    3D
 Structure written by MMmdl.
124130  0  0  1  0            999 V2000
   -9.7209   -3.6472   -2.5022 C   0  0  0  0  0  0
   -8.3914   -3.3065   -2.2114 C   0  0  0  0  0  0
   -7.3996   -4.3145   -2.2406 C   0  0  0  0  0  0
   -7.7885   -5.6219   -2.5613 C   0  0  0  0  0  0
   -9.1115   -5.9355   -2.8457 C   0  0  0  0  0  0
  -10.0841   -4.9492   -2.8175 C   0  0  0  0  0  0
   -8.0516   -1.8771   -1.8753 C   0  0  0  0  0  0
   -6.6054   -1.5793   -1.5736 C   0  0  0  0  0  0
   -5.6169   -2.5886   -1.6024 C   0  0  0  0  0  0
   -5.9542   -4.0178   -1.9386 C   0  0  0  0  0  0
   -6.2196   -0.2693   -1.2545 C   0  0  0  0  0  0
   -4.8964    0.0742   -0.9672 C   0  0  0  0  0  0
   -3.9117   -0.9346   -0.9875 C   0  0  0  0  0  0
   -4.2906   -2.2401   -1.3090 C   0  0  0  0  0  0
   -5.0894   -4.9023   -1.9652 O   0  0  0  0  0  0
   -8.9162   -0.9923   -1.8487 O   0  0  0  0  0  0
  -10.7136   -2.6888   -2.4828 O   0  0  0  0  0  0
  -11.9776   -3.1521   -2.7865 C   0  0  0  0  0  0
   -7.1670    0.7334   -1.2161 O   0  0  0  0  0  0
   -3.3068   -3.2075   -1.3344 O   0  0  0  0  0  0
   -4.5540    1.5227   -0.6090 C   0  0  2  0  0  0
   -3.0472    1.8281   -0.6915 C   0  0  0  0  0  0
   -2.2318    0.7310    0.0000 C   0  0  1  0  0  0
   -2.4407   -0.6260   -0.6966 C   0  0  0  0  0  0
   -5.0074    1.7705    0.6706 O   0  0  0  0  0  0
   -4.8451    3.0701    1.1054 C   0  0  1  0  0  0
   -5.5667    3.9417    0.2271 O   0  0  0  0  0  0
   -6.3855    4.9379    0.8394 C   0  0  2  0  0  0
   -5.6269    5.6433    1.9786 C   0  0  2  0  0  0
   -5.1280    4.6528    3.0491 C   0  0  2  0  0  0
   -5.2545    3.1943    2.5843 C   0  0  0  0  0  0
   -0.7743    1.0855    0.0000 C   0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0
   -0.3224    2.2268   -0.0000 O   0  0  0  0  0  0
    1.4600    0.0000    0.0000 C   0  0  0  0  0  0
    1.9600   -1.2247    0.7071 C   0  0  0  0  0  0
    1.4733   -1.2247    2.0836 N   0  0  0  0  0  0
    1.2152   -2.3102    2.8136 C   0  0  0  0  0  0
    0.7294   -1.9557    4.1878 C   0  0  0  0  0  0
    1.3659   -3.4515    2.3876 O   0  0  0  0  0  0
    1.8696   -1.8407    5.0924 N   0  0  0  0  0  0
    2.5597   -0.7250    5.3303 C   0  0  0  0  0  0
    3.6700   -0.9546    6.3124 C   0  0  0  0  0  0
    2.2967    0.3484    4.7960 O   0  0  0  0  0  0
    4.5892   -1.9574    5.7821 N   0  0  0  0  0  0
    5.6584   -1.7050    5.0266 C   0  0  0  0  0  0
    6.3860   -2.9621    4.6521 C   0  0  0  0  0  0
    5.9856   -0.5702    4.6920 O   0  0  0  0  0  0
    6.4124   -3.0945    3.1983 N   0  0  0  0  0  0
    7.3611   -2.6138    2.3942 C   0  0  0  0  0  0
    7.0821   -2.9259    0.9537 C   0  0  0  0  0  0
    8.3357   -1.9936    2.8091 O   0  0  0  0  0  0
    8.1492   -2.3778    0.1215 N   0  0  0  0  0  0
    8.1635   -1.1570   -0.4145 C   0  0  0  0  0  0
    9.4089   -0.9136   -1.2143 C   0  0  0  0  0  0
    7.2533   -0.3487   -0.2565 O   0  0  0  0  0  0
   10.5771   -1.0475   -0.3489 N   0  0  0  0  0  0
   -2.6042    0.6404    1.3257 O   0  0  0  0  0  0
   -5.0966    2.2102   -1.2604 H   0  0  0  0  0  0
   -7.6380    4.2960    1.3583 C   0  0  0  0  0  0
   -5.8795    4.9639    4.2570 N   0  0  0  0  0  0
   -6.1044    6.3987    4.2299 C   0  0  2  0  0  0
   -6.4617    6.6738    2.7658 C   0  0  0  0  0  0
   -4.8757    7.2146    4.7065 C   0  0  2  0  0  0
   -4.4341    6.7453    5.9775 O   0  0  0  0  0  0
   -4.0806    5.3645    5.9636 C   0  0  0  0  0  0
   -5.2927    4.5191    5.5207 C   0  0  0  0  0  0
   -5.2041    8.5508    4.8127 O   0  0  0  0  0  0
   -4.1713    9.3754    5.2098 C   0  0  0  0  0  0
   -7.0593   -6.4225   -2.5944 H   0  0  0  0  0  0
   -9.3832   -6.9538   -3.0902 H   0  0  0  0  0  0
  -11.1152   -5.1909   -3.0387 H   0  0  0  0  0  0
  -12.6871   -2.3257   -2.7451 H   0  0  0  0  0  0
  -11.9765   -3.5801   -3.7889 H   0  0  0  0  0  0
  -12.2674   -3.9163   -2.0654 H   0  0  0  0  0  0
   -6.8143    1.6392   -0.9812 H   0  0  0  0  0  0
   -2.3875   -2.8812   -1.1142 H   0  0  0  0  0  0
   -2.8397    2.7987   -0.2377 H   0  0  0  0  0  0
   -2.7416    1.9104   -1.7366 H   0  0  0  0  0  0
   -2.0043   -1.4163   -0.0831 H   0  0  0  0  0  0
   -1.8949   -0.6406   -1.6415 H   0  0  0  0  0  0
   -3.7835    3.2987    1.0040 H   0  0  0  0  0  0
   -6.6943    5.6570    0.0804 H   0  0  0  0  0  0
   -4.7588    6.1444    1.5481 H   0  0  0  0  0  0
   -4.0701    4.8664    3.2075 H   0  0  0  0  0  0
   -6.2828    2.8497    2.7028 H   0  0  0  0  0  0
   -4.6394    2.5419    3.2039 H   0  0  0  0  0  0
   -0.3288   -0.9550    0.0000 H   0  0  0  0  0  0
    1.8233    0.8900    0.5138 H   0  0  0  0  0  0
    1.8233   -0.0000   -1.0277 H   0  0  0  0  0  0
    3.0500   -1.2247    0.7071 H   0  0  0  0  0  0
    1.5967   -2.1147    0.1933 H   0  0  0  0  0  0
    1.3637   -0.2698    2.3936 H   0  0  0  0  0  0
    0.0572   -2.7347    4.5476 H   0  0  0  0  0  0
    0.1974   -1.0051    4.1510 H   0  0  0  0  0  0
    2.0511   -2.7428    5.5090 H   0  0  0  0  0  0
    3.2533   -1.3066    7.2561 H   0  0  0  0  0  0
    4.2073   -0.0209    6.4783 H   0  0  0  0  0  0
    4.2844   -2.8731    6.0800 H   0  0  0  0  0  0
    5.8742   -3.8211    5.0859 H   0  0  0  0  0  0
    7.4069   -2.9178    5.0314 H   0  0  0  0  0  0
    5.5960   -3.6090    2.9002 H   0  0  0  0  0  0
    6.1302   -2.4813    0.6634 H   0  0  0  0  0  0
    7.0347   -4.0064    0.8187 H   0  0  0  0  0  0
    8.8748   -3.0726    0.0174 H   0  0  0  0  0  0
    9.3807    0.0921   -1.6336 H   0  0  0  0  0  0
    9.4700   -1.6426   -2.0224 H   0  0  0  0  0  0
   10.6037   -1.9793    0.0399 H   0  0  0  0  0  0
   11.4159   -0.8825   -0.8868 H   0  0  0  0  0  0
   -3.5642    0.4069    1.4800 H   0  0  0  0  0  0
   -8.2669    5.0529    1.8270 H   0  0  0  0  0  0
   -8.1791    3.8347    0.5322 H   0  0  0  0  0  0
   -7.3781    3.5339    2.0930 H   0  0  0  0  0  0
   -6.9462    6.6492    4.8774 H   0  0  0  0  0  0
   -6.2609    7.7020    2.4635 H   0  0  0  0  0  0
   -7.5265    6.4897    2.6173 H   0  0  0  0  0  0
   -4.0528    7.1515    3.9928 H   0  0  0  0  0  0
   -3.7644    5.0703    6.9645 H   0  0  0  0  0  0
   -3.2257    5.2055    5.3053 H   0  0  0  0  0  0
   -6.0539    4.5877    6.2989 H   0  0  0  0  0  0
   -5.0199    3.4649    5.4631 H   0  0  0  0  0  0
   -4.5278   10.4041    5.2637 H   0  0  0  0  0  0
   -3.8136    9.0630    6.1909 H   0  0  0  0  0  0
   -3.3566    9.3106    4.4885 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1 17  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  2  0  0  0
  4 70  1  0  0  0
  5  6  1  0  0  0
  5 71  1  0  0  0
  6 72  1  0  0  0
  7  8  1  0  0  0
  7 16  2  0  0  0
  8  9  1  0  0  0
  8 11  2  0  0  0
  9 10  1  0  0  0
  9 14  2  0  0  0
 10 15  2  0  0  0
 11 12  1  0  0  0
 11 19  1  0  0  0
 12 13  2  0  0  0
 12 21  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 14 20  1  0  0  0
 17 18  1  0  0  0
 18 73  1  0  0  0
 18 74  1  0  0  0
 18 75  1  0  0  0
 19 76  1  0  0  0
 20 77  1  0  0  0
 21 22  1  0  0  0
 21 25  1  0  0  0
 21 59  1  0  0  0
 22 23  1  0  0  0
 22 78  1  0  0  0
 22 79  1  0  0  0
 23 24  1  0  0  0
 23 32  1  0  0  0
 23 58  1  0  0  0
 24 80  1  0  0  0
 24 81  1  0  0  0
 25 26  1  0  0  0
 26 31  1  0  0  0
 26 27  1  0  0  0
 26 82  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 28 60  1  0  0  0
 28 83  1  0  0  0
 29 30  1  0  0  0
 29 63  1  0  0  0
 29 84  1  0  0  0
 30 31  1  0  0  0
 30 61  1  0  0  0
 30 85  1  0  0  0
 31 86  1  0  0  0
 31 87  1  0  0  0
 32 33  1  0  0  0
 32 34  2  0  0  0
 33 35  1  0  0  0
 33 88  1  0  0  0
 35 36  1  0  0  0
 35 89  1  0  0  0
 35 90  1  0  0  0
 36 37  1  0  0  0
 36 91  1  0  0  0
 36 92  1  0  0  0
 37 38  1  0  0  0
 37 93  1  0  0  0
 38 39  1  0  0  0
 38 40  2  0  0  0
 39 41  1  0  0  0
 39 94  1  0  0  0
 39 95  1  0  0  0
 41 42  1  0  0  0
 41 96  1  0  0  0
 42 43  1  0  0  0
 42 44  2  0  0  0
 43 45  1  0  0  0
 43 97  1  0  0  0
 43 98  1  0  0  0
 45 46  1  0  0  0
 45 99  1  0  0  0
 46 47  1  0  0  0
 46 48  2  0  0  0
 47 49  1  0  0  0
 47100  1  0  0  0
 47101  1  0  0  0
 49 50  1  0  0  0
 49102  1  0  0  0
 50 51  1  0  0  0
 50 52  2  0  0  0
 51 53  1  0  0  0
 51103  1  0  0  0
 51104  1  0  0  0
 53 54  1  0  0  0
 53105  1  0  0  0
 54 55  1  0  0  0
 54 56  2  0  0  0
 55 57  1  0  0  0
 55106  1  0  0  0
 55107  1  0  0  0
 57108  1  0  0  0
 57109  1  0  0  0
 58110  1  0  0  0
 60111  1  0  0  0
 60112  1  0  0  0
 60113  1  0  0  0
 61 62  1  0  0  0
 61 67  1  0  0  0
 62 63  1  0  0  0
 62 64  1  0  0  0
 62114  1  0  0  0
 63115  1  0  0  0
 63116  1  0  0  0
 64 65  1  0  0  0
 64 68  1  0  0  0
 64117  1  0  0  0
 65 66  1  0  0  0
 66 67  1  0  0  0
 66118  1  0  0  0
 66119  1  0  0  0
 67120  1  0  0  0
 67121  1  0  0  0
 68 69  1  0  0  0
 69122  1  0  0  0
 69123  1  0  0  0
 69124  1  0  0  0
M  END
> <s_m_entry_id>
12

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
