CARTESIAN AM1 STANDARD DIRECT OPT=BFGS XTEST=0.0001 CHARGE=-1
created by wmopcrt() for divcon
    1     P      42.0480       54.7630       78.1240
    2     O      43.2900       54.1750       77.2990
    3     P      43.1080       52.6310       76.9120
    4     O      44.5330       51.9850       76.5750
    5     C      45.4550       51.4440       77.5310
    6     C      46.6400       50.8240       76.7550
    7     C      47.4780       51.8890       75.9910
    8     C      47.0310       51.6940       74.5290
    9     C      46.7230       50.1830       74.5130
   10     N      45.8820       49.7640       73.3700
   11     C      46.0180       48.4580       72.8420
   12     C      45.2490       48.0840       71.7380
   13     C      44.2140       48.9120       71.2950
   14     C      43.8560       50.0500       72.0310
   15     C      42.7240       50.9880       71.6440
   16     N      42.1580       50.9800       70.4150
   17     O      42.3360       51.7800       72.4890
   18     C      44.5880       50.3200       73.1950
   19     O      46.0460       49.9760       75.7560
   20     O      48.0520       52.0150       73.5730
   21     O      48.8880       51.6080       76.0690
   22     O      42.4790       51.8550       78.0190
   23     O      42.1830       52.5340       75.6100
   24     O      42.1740       54.2710       79.6440
   25     C      43.4670       54.2850       80.2660
   26     C      43.3780       53.8980       81.7600
   27     C      42.6180       54.9530       82.6160
   28     C      43.7420       55.5720       83.4770
   29     C      44.6940       54.3670       83.6190
   30     N      46.0280       54.7280       84.0720
   31     C      46.6230       54.3180       85.2180
   32     N      46.2420       53.5270       86.2390
   33     C      47.1240       53.2970       87.2430
   34     N      48.3530       53.8700       87.2730
   35     C      48.7770       54.6830       86.2780
   36     N      50.0580       55.2900       86.3100
   37     C      47.8860       54.8890       85.2300
   38     N      47.9710       55.5910       84.0940
   39     C      46.8910       55.4810       83.4390
   40     O      44.7210       53.8760       82.2760
   41     O      43.2920       56.0390       84.7590
   42     O      41.6750       54.3230       83.5010
   43     O      40.7470       54.3330       77.5370
   44     O      42.1300       56.3600       78.0950
   45     H      44.9430       50.6540       78.1050
   46     H      45.8010       52.2240       78.2260
   47     H      47.2770       50.2240       77.4250
   48     H      47.2990       52.9240       76.3310
   49     H      46.1180       52.2820       74.3420
   50     H      47.6790       49.6330       74.5340
   51     H      46.7150       47.7520       73.2810
   52     H      45.4540       47.1470       71.2280
   53     H      43.6930       48.6340       70.3870
   54     H      41.4140       51.6230       70.2200
   55     H      42.4590       50.3800       69.6780
   56     H      44.1660       50.9570       73.9640
   57     H      48.3170       52.9270       73.6230
   58     H      49.2340       51.7070       76.9510
   59     H      43.9080       55.2930       80.1880
   60     H      44.1240       53.5640       79.7530
   61     H      42.9300       52.8960       81.8720
   62     H      42.1070       55.7280       82.0180
   63     H      44.2480       56.3780       82.9160
   64     H      44.2520       53.6030       84.2790
   65     H      46.8350       52.6300       88.0480
   66     H      50.3510       55.8910       85.5650
   67     H      50.6740       55.1250       87.0810
   68     H      46.7310       55.9610       82.4750
   69     H      42.6520       56.7390       84.6780
   70     H      40.9610       53.9090       83.0270
END_COORD

