Aldehyde-tagged MMAF
                    3D
 Structure written by MMmdl.
133134  0  0  1  0            999 V2000
    3.9683   -2.1457    3.1061 O   0  0  0  0  0  0
    1.5000    2.3515    0.0566 O   0  0  0  0  0  0
    3.3627   -1.0798    1.4504 O   0  0  0  0  0  0
    2.5650   -1.8875    5.4584 O   0  0  0  0  0  0
   -2.0005   -1.0298    0.0000 O   0  0  0  0  0  0
    0.9965   -2.0046    2.6634 O   0  0  0  0  0  0
    2.4462    0.4920    8.2134 O   0  0  0  0  0  0
    1.1943   -1.1564    9.1539 O   0  0  0  0  0  0
    5.1472    0.2125    2.0121 N   0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0
    4.0072   -1.0790    6.9844 N   0  0  0  0  0  0
   -0.2812   -3.1294    1.1921 N   0  0  0  0  0  0
    0.7875   -4.6445    3.9949 N   0  0  0  0  0  0
    5.8738   -0.8055    2.7785 C   0  0  1  0  0  0
    6.9773    0.0085    3.4518 C   0  0  0  0  0  0
    5.0016   -1.5167    3.7702 C   0  0  1  0  0  0
    7.2194    1.1723    2.5002 C   0  0  0  0  0  0
    5.8335    1.5052    1.9502 C   0  0  0  0  0  0
    4.4392   -0.5238    4.7438 C   0  0  1  0  0  0
    1.4600    0.0000    0.0000 C   0  0  2  0  0  0
    1.9600    1.2247    0.7071 C   0  0  1  0  0  0
    3.9600    0.0000    1.4142 C   0  0  0  0  0  0
    3.4600    1.2247    0.7071 C   0  0  0  0  0  0
    1.9600    0.0000   -1.4142 C   0  0  2  0  0  0
    3.6259    0.4965    4.0039 C   0  0  0  0  0  0
    1.4600    1.2247   -2.1213 C   0  0  0  0  0  0
    3.5670   -1.2349    5.7356 C   0  0  0  0  0  0
    1.4600   -1.2247   -2.1213 C   0  0  0  0  0  0
   -0.7743   -1.0855    0.0000 C   0  0  0  0  0  0
    0.0354   -2.3482    0.0000 C   0  0  2  0  0  0
   -0.4753    1.3805    0.0000 C   0  0  0  0  0  0
    4.3601   -3.0881    2.1772 C   0  0  0  0  0  0
    1.9600    1.2247   -3.5355 C   0  0  0  0  0  0
   -0.2899   -3.1508   -1.2247 C   0  0  0  0  0  0
    3.3854   -1.6426    8.1791 C   0  0  1  0  0  0
    1.7089    3.5388    0.7282 C   0  0  0  0  0  0
   -1.7503   -3.4933   -1.2247 C   0  0  0  0  0  0
    0.5198   -4.4135   -1.2247 C   0  0  0  0  0  0
    4.3868   -1.6764    9.2954 C   0  0  0  0  0  0
    0.2078   -2.9113    2.4132 C   0  0  0  0  0  0
   -0.3229   -3.8977    3.4109 C   0  0  2  0  0  0
    2.2161   -0.7938    8.5819 C   0  0  0  0  0  0
   -1.0583   -3.1663    4.4946 C   0  0  0  0  0  0
    4.8577   -0.2824    9.5871 C   0  0  0  0  0  0
   -1.5890   -4.1527    5.4923 C   0  0  0  0  0  0
   -2.1991   -2.3990    3.8946 C   0  0  0  0  0  0
    5.9643    0.2309    8.9211 C   0  0  0  0  0  0
    4.1873    0.4960   10.5232 C   0  0  0  0  0  0
    0.9497   -5.9664    3.9316 C   0  0  0  0  0  0
    6.4006    1.5225    9.1913 C   0  0  0  0  0  0
    4.6236    1.7876   10.7935 C   0  0  0  0  0  0
    5.7303    2.3009   10.1275 C   0  0  0  0  0  0
    1.6915   -3.7101    4.6592 C   0  0  0  0  0  0
   -0.1623   -6.6292    3.1740 C   0  0  0  0  0  0
    1.9042   -6.5461    4.4412 O   0  0  0  0  0  0
    0.3568   -7.8678    2.5058 C   0  0  0  0  0  0
    0.8863   -8.8117    3.5444 C   0  0  0  0  0  0
    1.4053  -10.0503    2.8762 C   0  0  0  0  0  0
    0.2933  -10.7132    2.1186 C   0  0  0  0  0  0
    0.3452  -10.8944    0.9041 O   0  0  0  0  0  0
   -0.5638  -11.0235    2.7162 H   0  0  0  0  0  0
    1.7045    1.0148    8.4719 H   0  0  0  0  0  0
    4.8247   -0.5520    7.2567 H   0  0  0  0  0  0
   -0.9305   -3.8617    0.9425 H   0  0  0  0  0  0
    6.2970   -1.5475    2.0981 H   0  0  0  0  0  0
    7.8764   -0.5807    3.6390 H   0  0  0  0  0  0
    6.6247    0.3807    4.4160 H   0  0  0  0  0  0
    5.5926   -2.2580    4.3079 H   0  0  0  0  0  0
    7.8744    0.8583    1.6846 H   0  0  0  0  0  0
    7.6924    2.0267    2.9870 H   0  0  0  0  0  0
    5.3260    2.2266    2.5945 H   0  0  0  0  0  0
    5.8788    1.9172    0.9393 H   0  0  0  0  0  0
    5.2554   -0.0269    5.2683 H   0  0  0  0  0  0
    1.8233   -0.8900    0.5138 H   0  0  0  0  0  0
    1.5967    1.2247    1.7348 H   0  0  0  0  0  0
    3.8233    2.1147    1.2209 H   0  0  0  0  0  0
    3.8233    1.2247   -0.3206 H   0  0  0  0  0  0
    3.0500    0.0000   -1.4142 H   0  0  0  0  0  0
    3.2172    1.2180    4.7113 H   0  0  0  0  0  0
    4.2597    1.0133    3.2832 H   0  0  0  0  0  0
    2.8097   -0.0003    3.4793 H   0  0  0  0  0  0
    1.8233    2.1147   -1.6075 H   0  0  0  0  0  0
    0.3700    1.2247   -2.1213 H   0  0  0  0  0  0
    0.3700   -1.2247   -2.1213 H   0  0  0  0  0  0
    1.8233   -1.2247   -3.1490 H   0  0  0  0  0  0
    1.8233   -2.1147   -1.6075 H   0  0  0  0  0  0
    1.0966   -2.0993    0.0000 H   0  0  0  0  0  0
   -1.5653    1.3894   -0.0000 H   0  0  0  0  0  0
   -0.1078    1.8913    0.8900 H   0  0  0  0  0  0
   -0.1078    1.8913   -0.8900 H   0  0  0  0  0  0
    3.4781   -3.5258    1.7096 H   0  0  0  0  0  0
    4.9771   -2.6123    1.4150 H   0  0  0  0  0  0
    4.9344   -3.8704    2.6734 H   0  0  0  0  0  0
    1.5967    2.1147   -4.0494 H   0  0  0  0  0  0
    3.0500    1.2247   -3.5355 H   0  0  0  0  0  0
    1.5967    0.3348   -4.0494 H   0  0  0  0  0  0
   -0.0535   -2.5676   -2.1147 H   0  0  0  0  0  0
    3.0432   -2.6555    7.9672 H   0  0  0  0  0  0
    1.3134    4.3650    0.1372 H   0  0  0  0  0  0
    1.2007    3.5054    1.6919 H   0  0  0  0  0  0
    2.7776    3.6839    0.8859 H   0  0  0  0  0  0
   -1.9867   -4.0765   -0.3348 H   0  0  0  0  0  0
   -2.3387   -2.5757   -1.2247 H   0  0  0  0  0  0
   -1.9867   -4.0765   -2.1147 H   0  0  0  0  0  0
    0.2834   -4.9967   -0.3348 H   0  0  0  0  0  0
    0.2834   -4.9967   -2.1147 H   0  0  0  0  0  0
    1.5810   -4.1646   -1.2247 H   0  0  0  0  0  0
    5.2365   -2.2931    9.0027 H   0  0  0  0  0  0
    3.9226   -2.0971   10.1874 H   0  0  0  0  0  0
   -1.0031   -4.5884    2.9126 H   0  0  0  0  0  0
   -0.3781   -2.4756    4.9929 H   0  0  0  0  0  0
   -2.2692   -4.8434    4.9939 H   0  0  0  0  0  0
   -0.7600   -4.7102    5.9282 H   0  0  0  0  0  0
   -2.1234   -3.6212    6.2797 H   0  0  0  0  0  0
   -2.8793   -3.0897    3.3962 H   0  0  0  0  0  0
   -2.7335   -1.8676    4.6820 H   0  0  0  0  0  0
   -1.8135   -1.6823    3.1696 H   0  0  0  0  0  0
    6.4862   -0.3751    8.1923 H   0  0  0  0  0  0
    3.3257    0.0964   11.0417 H   0  0  0  0  0  0
    7.2622    1.9221    8.6729 H   0  0  0  0  0  0
    4.1017    2.3936   11.5223 H   0  0  0  0  0  0
    6.0699    3.3064   10.3379 H   0  0  0  0  0  0
    2.5240   -4.2600    5.0983 H   0  0  0  0  0  0
    2.0727   -2.9938    3.9315 H   0  0  0  0  0  0
    1.1527   -3.1791    5.4440 H   0  0  0  0  0  0
   -0.5470   -5.9433    2.4192 H   0  0  0  0  0  0
   -0.9628   -6.8968    3.8637 H   0  0  0  0  0  0
    1.1573   -7.6003    1.8161 H   0  0  0  0  0  0
   -0.4513   -8.3495    1.9552 H   0  0  0  0  0  0
    0.0857   -9.0793    4.2341 H   0  0  0  0  0  0
    1.6943   -8.3301    4.0950 H   0  0  0  0  0  0
    1.7901  -10.7362    3.6310 H   0  0  0  0  0  0
    2.2059   -9.7828    2.1866 H   0  0  0  0  0  0
  1 16  1  0  0  0
  1 32  1  0  0  0
  2 21  1  0  0  0
  2 36  1  0  0  0
  3 22  2  0  0  0
  4 27  2  0  0  0
  5 29  2  0  0  0
  6 40  2  0  0  0
  7 42  1  0  0  0
  7 62  1  0  0  0
  8 42  2  0  0  0
  9 14  1  0  0  0
  9 18  1  0  0  0
  9 22  1  0  0  0
 10 20  1  0  0  0
 10 29  1  0  0  0
 10 31  1  0  0  0
 11 27  1  0  0  0
 11 35  1  0  0  0
 11 63  1  0  0  0
 12 30  1  0  0  0
 12 40  1  0  0  0
 12 64  1  0  0  0
 13 41  1  0  0  0
 13 49  1  0  0  0
 13 53  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 14 65  1  0  0  0
 15 17  1  0  0  0
 15 66  1  0  0  0
 15 67  1  0  0  0
 16 19  1  0  0  0
 16 68  1  0  0  0
 17 18  1  0  0  0
 17 69  1  0  0  0
 17 70  1  0  0  0
 18 71  1  0  0  0
 18 72  1  0  0  0
 19 25  1  0  0  0
 19 27  1  0  0  0
 19 73  1  0  0  0
 20 21  1  0  0  0
 20 24  1  0  0  0
 20 74  1  0  0  0
 21 23  1  0  0  0
 21 75  1  0  0  0
 22 23  1  0  0  0
 23 76  1  0  0  0
 23 77  1  0  0  0
 24 26  1  0  0  0
 24 28  1  0  0  0
 24 78  1  0  0  0
 25 79  1  0  0  0
 25 80  1  0  0  0
 25 81  1  0  0  0
 26 33  1  0  0  0
 26 82  1  0  0  0
 26 83  1  0  0  0
 28 84  1  0  0  0
 28 85  1  0  0  0
 28 86  1  0  0  0
 29 30  1  0  0  0
 30 34  1  0  0  0
 30 87  1  0  0  0
 31 88  1  0  0  0
 31 89  1  0  0  0
 31 90  1  0  0  0
 32 91  1  0  0  0
 32 92  1  0  0  0
 32 93  1  0  0  0
 33 94  1  0  0  0
 33 95  1  0  0  0
 33 96  1  0  0  0
 34 37  1  0  0  0
 34 38  1  0  0  0
 34 97  1  0  0  0
 35 39  1  0  0  0
 35 42  1  0  0  0
 35 98  1  0  0  0
 36 99  1  0  0  0
 36100  1  0  0  0
 36101  1  0  0  0
 37102  1  0  0  0
 37103  1  0  0  0
 37104  1  0  0  0
 38105  1  0  0  0
 38106  1  0  0  0
 38107  1  0  0  0
 39 44  1  0  0  0
 39108  1  0  0  0
 39109  1  0  0  0
 40 41  1  0  0  0
 41 43  1  0  0  0
 41110  1  0  0  0
 43 45  1  0  0  0
 43 46  1  0  0  0
 43111  1  0  0  0
 44 47  2  0  0  0
 44 48  1  0  0  0
 45112  1  0  0  0
 45113  1  0  0  0
 45114  1  0  0  0
 46115  1  0  0  0
 46116  1  0  0  0
 46117  1  0  0  0
 47 50  1  0  0  0
 47118  1  0  0  0
 48 51  2  0  0  0
 48119  1  0  0  0
 49 54  1  0  0  0
 49 55  2  0  0  0
 50 52  2  0  0  0
 50120  1  0  0  0
 51 52  1  0  0  0
 51121  1  0  0  0
 52122  1  0  0  0
 53123  1  0  0  0
 53124  1  0  0  0
 53125  1  0  0  0
 54 56  1  0  0  0
 54126  1  0  0  0
 54127  1  0  0  0
 56 57  1  0  0  0
 56128  1  0  0  0
 56129  1  0  0  0
 57 58  1  0  0  0
 57130  1  0  0  0
 57131  1  0  0  0
 58 59  1  0  0  0
 58132  1  0  0  0
 58133  1  0  0  0
 59 60  2  0  0  0
 59 61  1  0  0  0
M  END
> <s_m_entry_id>
81

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
