0 mol 43 unq 0 iso 0 dist 8.06275 10.4413 6.20293 5.5249 8.80331 8.13395 12.0618 5.06502 5.73819 10.5523 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.06275 10.4413 6.20293 5.5249 8.80331 8.13395 14.4184 6.45462 8.93915 14.7803 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.90024 5.84171 6.20293 13.9129 8.80331 8.13395 6.84521 5.06502 5.73819 10.5523 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.90024 5.84171 6.20293 13.9129 8.80331 8.13395 6.78532 6.45462 8.93915 14.7803 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.43143 16.2349 9.96708 10.5786 8.8178 10.7394 16.5383 8.24309 9.78528 9.84449 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 5.48831 13.0773 9.96708 10.5933 9.78528 8.24309 15.2832 10.7394 8.8178 9.84449 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 13.0232 6.19965 5.42586 11.5591 6.9948 7.47541 7.66905 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 9.53239 7.97049 5.42586 13.2455 4.26409 7.95579 11.3023 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 9.9795 13.0232 6.19965 9.53239 7.97049 5.42586 11.5591 6.9948 7.66905 7.47541 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 6.86713 9.70895 8.03644 10.3731 9.03572 16.6055 12.4296 8.41707 7.27724 16.9836 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 6.86713 9.70895 8.03644 7.4052 8.83255 13.8105 12.4296 8.41707 7.27724 16.9811 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 6.23645 4.96719 7.11972 6.47836 6.90986 10.498 8.43116 6.5838 5.11551 11.4095 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 6.23645 6.47836 6.90986 4.96719 7.11972 10.498 9.62812 5.67807 5.39945 11.8863 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.94179 6.70853 9.52634 6.75154 6.5107 9.56949 13.2418 6.69554 9.91388 9.66421 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.94179 6.70853 9.52634 6.75154 6.5107 9.56949 12.2738 7.6656 7.24514 12.0352 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 7.5055 10.9541 8.22656 5.61003 6.82262 5.61668 13.494 6.65743 7.24514 10.2995 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 9.00172 14.0905 8.00618 13.2145 6.29155 11.965 8.66715 8.18495 7.11802 13.268 numMergedOcc 0
17 mol 133 unq 4 iso 0 dist 9.00172 14.0905 8.00618 15.719 6.80239 7.79672 8.66715 8.18495 7.11802 12.6651 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 16.7911 9.71307 6.81259 10.9216 5.49782 8.94367 9.86662 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 8.84656 10.879 6.37586 16.7911 9.71307 6.81259 4.9155 5.00817 6.49416 12.5075 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 8.84656 16.7911 9.71307 10.879 6.37586 6.81259 10.9216 5.49782 9.86662 8.94367 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 4.9155 9.30817 6.54501 10.879 6.49416 5.00526 4.68975 5.79898 9.89303 9.93925 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 4.9155 10.879 6.49416 9.30817 6.54501 5.00526 10.9216 8.80819 8.94367 11.9139 numMergedOcc 0
23 mol 134 unq 5 iso 0 dist 4.9155 10.879 6.49416 9.30817 6.54501 5.00526 8.84656 5.00817 6.37586 9.5126 numMergedOcc 0
24 mol 134 unq 6 iso 0 dist 8.49987 6.47843 6.54501 10.9399 6.49416 5.00526 9.64152 5.79898 9.89303 9.93925 numMergedOcc 0
25 mol 134 unq 7 iso 0 dist 8.49987 10.9399 6.49416 6.47843 6.54501 5.00526 14.7559 8.80819 8.94367 11.9139 numMergedOcc 0
26 mol 134 unq 8 iso 0 dist 8.49987 10.9399 6.49416 6.47843 6.54501 5.00526 13.0189 5.00817 6.37586 9.5126 numMergedOcc 0
27 mol 134 unq 9 iso 0 dist 9.42271 6.16353 6.54501 7.07625 6.49416 5.00526 9.15658 5.79898 9.89303 9.93925 numMergedOcc 0
28 mol 134 unq 10 iso 0 dist 9.42271 7.07625 6.49416 6.16353 6.54501 5.00526 9.79337 8.80819 8.94367 11.9139 numMergedOcc 0
29 mol 134 unq 11 iso 0 dist 9.42271 7.07625 6.49416 6.16353 6.54501 5.00526 10.5814 5.00817 6.37586 9.5126 numMergedOcc 0
30 mol 134 unq 12 iso 0 dist 5.79157 13.0109 9.86662 14.1608 9.71307 5.49782 9.87619 6.81259 8.94367 6.37586 numMergedOcc 0
31 mol 134 unq 13 iso 0 dist 5.79157 14.1608 9.71307 13.0109 9.86662 5.49782 9.87619 6.81259 6.37586 8.94367 numMergedOcc 0
32 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 13.5268 7.73169 5.50998 13.95 5.32922 5.31024 7.26382 numMergedOcc 0
33 mol 142 unq 1 iso 0 dist 8.86346 16.7609 9.2313 12.1759 8.96657 11.1395 13.95 5.32922 5.31024 11.0824 numMergedOcc 0
34 mol 142 unq 2 iso 0 dist 8.86346 13.5268 7.73169 16.7609 9.2313 5.50998 13.95 5.32922 7.26382 5.31024 numMergedOcc 0
35 mol 142 unq 3 iso 0 dist 8.86346 13.5268 7.73169 12.1759 8.96657 5.92693 13.95 5.32922 7.26382 11.0824 numMergedOcc 0
36 mol 142 unq 4 iso 0 dist 4.93681 12.8283 9.2313 10.1677 7.73169 5.50998 9.86383 5.32922 5.31024 7.26382 numMergedOcc 0
37 mol 142 unq 5 iso 0 dist 4.93681 12.8283 9.2313 10.0866 8.96657 11.1395 9.86383 5.32922 5.31024 11.0824 numMergedOcc 0
38 mol 142 unq 6 iso 0 dist 4.93681 10.1677 7.73169 12.8283 9.2313 5.50998 9.86383 5.32922 7.26382 5.31024 numMergedOcc 0
39 mol 142 unq 7 iso 0 dist 4.93681 10.1677 7.73169 10.0866 8.96657 5.92693 9.86383 5.32922 7.26382 11.0824 numMergedOcc 0
40 mol 152 unq 0 iso 0 dist 8.34839 10.5295 6.70283 5.65129 8.56324 7.65448 12.6531 5.42328 5.87555 10.399 numMergedOcc 0
41 mol 152 unq 1 iso 0 dist 8.34839 10.5295 6.70283 5.65129 8.56324 7.65448 14.5994 6.4896 8.67331 14.1618 numMergedOcc 0
42 mol 152 unq 2 iso 0 dist 8.34839 10.5295 6.70283 10.7929 7.16148 5.49936 12.6531 5.42328 5.87555 8.87437 numMergedOcc 0
43 mol 152 unq 3 iso 0 dist 8.34839 10.5295 6.70283 10.7929 7.16148 5.49936 14.5994 6.4896 8.67331 8.05741 numMergedOcc 0
44 mol 152 unq 4 iso 0 dist 8.34839 10.7929 7.16148 5.65129 8.56324 10.6875 12.6531 5.42328 8.87437 10.399 numMergedOcc 0
45 mol 152 unq 5 iso 0 dist 8.34839 10.7929 7.16148 5.65129 8.56324 10.6875 14.5994 6.4896 8.05741 14.1618 numMergedOcc 0
46 mol 152 unq 6 iso 0 dist 8.34839 10.7929 7.16148 10.5295 6.70283 5.49936 12.6531 5.42328 8.87437 5.87555 numMergedOcc 0
47 mol 152 unq 7 iso 0 dist 8.34839 10.7929 7.16148 10.5295 6.70283 5.49936 14.5994 6.4896 8.05741 8.67331 numMergedOcc 0
48 mol 229 unq 0 iso 0 dist 6.88694 6.52416 7.03423 11.1919 9.06952 6.84129 6.32302 5.57838 8.22528 13.2905 numMergedOcc 0
49 mol 236 unq 0 iso 0 dist 5.77925 6.59536 8.03456 8.93012 6.84306 5.79505 11.8216 7.28249 9.81562 7.68742 numMergedOcc 0
50 mol 236 unq 1 iso 0 dist 5.77925 6.59536 8.03456 12.1686 9.99038 9.90963 11.8216 7.28249 9.81562 6.27581 numMergedOcc 0
51 mol 236 unq 2 iso 0 dist 5.77925 6.59536 8.03456 5.48757 9.78037 6.96005 11.8216 7.28249 9.81562 13.499 numMergedOcc 0
52 mol 236 unq 3 iso 0 dist 5.77925 6.59536 8.03456 10.5925 8.35971 14.2337 11.8216 7.28249 9.81562 11.2141 numMergedOcc 0
53 mol 236 unq 4 iso 0 dist 5.77925 8.93012 6.84306 6.59536 8.03456 5.79505 11.8216 7.28249 7.68742 9.81562 numMergedOcc 0
54 mol 236 unq 5 iso 0 dist 5.77925 8.93012 6.84306 12.1686 9.99038 11.3368 11.8216 7.28249 7.68742 6.27581 numMergedOcc 0
55 mol 236 unq 6 iso 0 dist 5.77925 8.93012 6.84306 5.48757 9.78037 11.8739 11.8216 7.28249 7.68742 13.499 numMergedOcc 0
56 mol 236 unq 7 iso 0 dist 5.77925 8.93012 6.84306 10.5925 8.35971 14.7998 11.8216 7.28249 7.68742 11.2141 numMergedOcc 0
57 mol 236 unq 8 iso 0 dist 5.77925 12.1686 9.99038 6.59536 8.03456 9.90963 11.8216 7.28249 6.27581 9.81562 numMergedOcc 0
58 mol 236 unq 9 iso 0 dist 5.77925 12.1686 9.99038 8.93012 6.84306 11.3368 11.8216 7.28249 6.27581 7.68742 numMergedOcc 0
59 mol 236 unq 10 iso 0 dist 5.77925 12.1686 9.99038 5.48757 9.78037 11.1557 11.8216 7.28249 6.27581 13.499 numMergedOcc 0
60 mol 236 unq 11 iso 0 dist 5.77925 12.1686 9.99038 10.5925 8.35971 10.7497 11.8216 7.28249 6.27581 11.2141 numMergedOcc 0
61 mol 236 unq 12 iso 0 dist 5.77925 10.5925 8.35971 6.59536 8.03456 14.2337 10.4879 7.43758 8.04248 15.1853 numMergedOcc 0
62 mol 236 unq 13 iso 0 dist 5.77925 10.5925 8.35971 8.93012 6.84306 14.7998 10.4879 7.43758 8.04248 13.5269 numMergedOcc 0
63 mol 236 unq 14 iso 0 dist 5.77925 10.5925 8.35971 12.1686 9.99038 10.7497 10.4879 7.43758 8.04248 15.7308 numMergedOcc 0
64 mol 236 unq 15 iso 0 dist 5.77925 10.5925 8.35971 5.48757 9.78037 12.0369 10.4879 7.43758 8.04248 14.9122 numMergedOcc 0
65 mol 236 unq 16 iso 0 dist 8.95071 18.4732 9.99038 12.8358 6.27581 7.28249 16.0063 9.90963 8.03456 9.81562 numMergedOcc 0
66 mol 236 unq 17 iso 0 dist 8.95071 18.4732 9.99038 12.8358 6.27581 7.28249 17.4517 11.3368 6.84306 7.68742 numMergedOcc 0
67 mol 236 unq 18 iso 0 dist 8.95071 18.4732 9.99038 12.8358 6.27581 7.28249 18.1272 11.1557 9.78037 13.499 numMergedOcc 0
68 mol 236 unq 19 iso 0 dist 8.95071 18.4732 9.99038 12.8358 6.27581 7.28249 19.2865 10.7497 8.35971 11.2141 numMergedOcc 0
69 mol 236 unq 20 iso 0 dist 8.95071 12.8358 6.27581 18.4732 9.99038 7.28249 16.0063 9.90963 9.81562 8.03456 numMergedOcc 0
70 mol 236 unq 21 iso 0 dist 8.95071 12.8358 6.27581 18.4732 9.99038 7.28249 17.4517 11.3368 7.68742 6.84306 numMergedOcc 0
71 mol 252 unq 0 iso 0 dist 6.17985 6.79111 8.1148 6.02958 8.33025 6.0987 11.8637 8.41807 8.1715 9.2288 numMergedOcc 0
72 mol 252 unq 1 iso 0 dist 6.17985 6.02958 8.33025 6.79111 8.1148 6.0987 11.8637 8.41807 9.2288 8.1715 numMergedOcc 0
73 mol 252 unq 2 iso 0 dist 6.17985 6.02958 8.33025 6.79111 8.1148 6.0987 13.0333 14.9102 7.19638 10.5136 numMergedOcc 0
