0 mol 14 unq 0 iso 0 dist 8.64855 15.5387 9.58196 14.0636 5.53425 9.7022 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 8.64855 15.5387 9.58196 11.8313 4.53725 9.04767 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 7.94714 11.2303 9.04767 13.4426 5.67201 9.7022 numMergedOcc 0
3 mol 14 unq 3 iso 0 dist 7.94714 11.2303 9.04767 10.556 4.53725 9.58196 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 6.84521 5.84171 5.73819 8.90024 5.06502 6.20293 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 6.84521 5.84171 5.73819 6.78532 5.89973 8.93915 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 8.06275 10.4413 6.20293 12.0618 5.06502 5.73819 numMergedOcc 0
7 mol 43 unq 3 iso 0 dist 8.06275 10.4413 6.20293 14.4184 6.45462 8.93915 numMergedOcc 0
8 mol 43 unq 4 iso 0 dist 8.90024 5.84171 6.20293 6.84521 5.06502 5.73819 numMergedOcc 0
9 mol 43 unq 5 iso 0 dist 8.90024 5.84171 6.20293 6.78532 6.45462 8.93915 numMergedOcc 0
10 mol 43 unq 6 iso 0 dist 6.78532 5.84171 8.93915 6.84521 5.89973 5.73819 numMergedOcc 0
11 mol 43 unq 7 iso 0 dist 6.78532 5.84171 8.93915 8.90024 6.45462 6.20293 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 14.9123 5.30792 6.86465 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 9.81637 11.9429 6.62496 12.4928 4.81926 6.35756 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 9.43143 16.2349 9.96708 16.5383 8.24309 9.78528 numMergedOcc 0
15 mol 72 unq 1 iso 0 dist 5.48831 13.0773 9.96708 15.2832 10.7394 8.8178 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 11.5591 6.9948 7.47541 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 13.2455 4.26409 7.95579 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 9.9795 13.0232 6.19965 11.5591 6.9948 7.66905 numMergedOcc 0
19 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 12.3834 8.41707 8.03644 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 7.90775 4.16047 9.03572 9.96562 6.59319 8.83255 numMergedOcc 0
21 mol 95 unq 2 iso 0 dist 7.90775 4.16047 9.03572 11.3191 16.6055 8.03644 numMergedOcc 0
22 mol 95 unq 3 iso 0 dist 6.86713 9.70895 8.03644 12.4296 8.41707 7.27724 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 9.23803 6.32175 8.58044 11.1563 7 7.34473 numMergedOcc 0
24 mol 109 unq 1 iso 0 dist 9.23803 6.32175 8.58044 8.05028 6.94915 9.97763 numMergedOcc 0
25 mol 109 unq 2 iso 0 dist 8.05028 6.32175 9.97763 11.1563 8.40993 7.34473 numMergedOcc 0
26 mol 109 unq 3 iso 0 dist 8.05028 6.32175 9.97763 9.23803 6.94915 8.58044 numMergedOcc 0
27 mol 115 unq 0 iso 0 dist 9.50575 6.68557 5.11551 12.88 6.5838 7.11972 numMergedOcc 0
28 mol 115 unq 1 iso 0 dist 8.43116 4.96719 5.11551 6.23645 6.5838 7.11972 numMergedOcc 0
29 mol 115 unq 2 iso 0 dist 6.23645 4.96719 7.11972 8.43116 6.5838 5.11551 numMergedOcc 0
30 mol 115 unq 3 iso 0 dist 6.23645 6.47836 6.90986 9.62812 5.67807 5.39945 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 9.94179 6.70853 9.52634 13.2418 6.69554 9.91388 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 9.94179 6.70853 9.52634 12.2738 7.6656 7.24514 numMergedOcc 0
33 mol 133 unq 2 iso 0 dist 7.5055 10.9541 8.22656 13.494 6.65743 7.24514 numMergedOcc 0
34 mol 133 unq 3 iso 0 dist 8.66715 14.0905 7.11802 9.00172 8.18495 8.00618 numMergedOcc 0
35 mol 133 unq 4 iso 0 dist 9.00172 14.0905 8.00618 8.66715 8.18495 7.11802 numMergedOcc 0
36 mol 133 unq 5 iso 0 dist 8.95433 11.0811 7.11802 13.7786 8.18495 8.00618 numMergedOcc 0
37 mol 134 unq 0 iso 0 dist 4.68975 9.30817 9.89303 4.9155 5.79898 6.54501 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 8.84656 10.879 6.37586 10.9216 5.49782 8.94367 numMergedOcc 0
39 mol 134 unq 2 iso 0 dist 8.84656 10.879 6.37586 4.9155 5.00817 6.49416 numMergedOcc 0
40 mol 134 unq 3 iso 0 dist 8.84656 16.7911 9.71307 10.9216 5.49782 9.86662 numMergedOcc 0
41 mol 134 unq 4 iso 0 dist 4.9155 9.30817 6.54501 4.68975 5.79898 9.89303 numMergedOcc 0
42 mol 134 unq 5 iso 0 dist 4.9155 10.879 6.49416 10.9216 8.80819 8.94367 numMergedOcc 0
43 mol 134 unq 6 iso 0 dist 4.9155 10.879 6.49416 8.84656 5.00817 6.37586 numMergedOcc 0
44 mol 134 unq 7 iso 0 dist 8.49987 6.47843 6.54501 9.64152 5.79898 9.89303 numMergedOcc 0
45 mol 134 unq 8 iso 0 dist 8.49987 10.9399 6.49416 14.7559 8.80819 8.94367 numMergedOcc 0
46 mol 134 unq 9 iso 0 dist 8.49987 10.9399 6.49416 13.0189 5.00817 6.37586 numMergedOcc 0
47 mol 134 unq 10 iso 0 dist 9.42271 6.16353 6.54501 9.15658 5.79898 9.89303 numMergedOcc 0
48 mol 134 unq 11 iso 0 dist 9.42271 7.07625 6.49416 9.79337 8.80819 8.94367 numMergedOcc 0
49 mol 134 unq 12 iso 0 dist 9.42271 7.07625 6.49416 10.5814 5.00817 6.37586 numMergedOcc 0
50 mol 134 unq 13 iso 0 dist 5.79157 13.0109 9.86662 9.87619 6.81259 8.94367 numMergedOcc 0
51 mol 134 unq 14 iso 0 dist 5.79157 14.1608 9.71307 9.87619 6.81259 6.37586 numMergedOcc 0
52 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 13.95 5.32922 5.31024 numMergedOcc 0
53 mol 142 unq 1 iso 0 dist 8.86346 13.5268 7.73169 13.95 5.32922 7.26382 numMergedOcc 0
54 mol 142 unq 2 iso 0 dist 4.93681 12.8283 9.2313 9.86383 5.32922 5.31024 numMergedOcc 0
55 mol 142 unq 3 iso 0 dist 4.93681 10.1677 7.73169 9.86383 5.32922 7.26382 numMergedOcc 0
56 mol 152 unq 0 iso 0 dist 8.34839 10.5295 6.70283 12.6531 5.42328 5.87555 numMergedOcc 0
57 mol 152 unq 1 iso 0 dist 8.34839 10.5295 6.70283 14.5994 6.4896 8.67331 numMergedOcc 0
58 mol 152 unq 2 iso 0 dist 8.34839 10.7929 7.16148 12.6531 5.42328 8.87437 numMergedOcc 0
59 mol 152 unq 3 iso 0 dist 8.34839 10.7929 7.16148 14.5994 6.4896 8.05741 numMergedOcc 0
60 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 17.2412 13.2049 9.1374 numMergedOcc 0
61 mol 181 unq 1 iso 0 dist 8.27794 4.89429 9.09537 10.4189 10.1912 5.98885 numMergedOcc 0
62 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 15.5541 13.8792 9.70748 numMergedOcc 0
63 mol 186 unq 1 iso 0 dist 8.77347 6.05728 7.54065 10.7364 5.74635 8.87694 numMergedOcc 0
64 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 13.7769 8.18714 6.03031 numMergedOcc 0
65 mol 205 unq 1 iso 0 dist 9.25882 9.40714 7.80463 16.4532 13.8543 7.26832 numMergedOcc 0
66 mol 222 unq 0 iso 0 dist 7.88846 6.17038 7.54212 10.9296 6.8425 6.00706 numMergedOcc 0
67 mol 224 unq 0 iso 0 dist 8.14754 7.43271 5.81334 10.5219 5.60236 5.78342 numMergedOcc 0
68 mol 224 unq 1 iso 0 dist 8.14754 7.43271 5.81334 14.3431 6.91102 9.16166 numMergedOcc 0
69 mol 229 unq 0 iso 0 dist 6.32302 6.52416 8.22528 6.88694 5.57838 7.03423 numMergedOcc 0
70 mol 229 unq 1 iso 0 dist 6.88694 6.52416 7.03423 6.32302 5.57838 8.22528 numMergedOcc 0
71 mol 229 unq 2 iso 0 dist 8.53615 6.81165 8.22528 11.0334 5.57838 7.03423 numMergedOcc 0
72 mol 236 unq 0 iso 0 dist 5.77925 6.59536 8.03456 11.8216 7.28249 9.81562 numMergedOcc 0
73 mol 236 unq 1 iso 0 dist 5.77925 8.93012 6.84306 11.8216 7.28249 7.68742 numMergedOcc 0
74 mol 236 unq 2 iso 0 dist 5.77925 12.1686 9.99038 11.8216 7.28249 6.27581 numMergedOcc 0
75 mol 236 unq 3 iso 0 dist 5.77925 10.5925 8.35971 10.4879 7.43758 8.04248 numMergedOcc 0
76 mol 236 unq 4 iso 0 dist 8.95071 18.4732 9.99038 16.0063 9.90963 8.03456 numMergedOcc 0
77 mol 236 unq 5 iso 0 dist 8.95071 18.4732 9.99038 17.4517 11.3368 6.84306 numMergedOcc 0
78 mol 236 unq 6 iso 0 dist 8.95071 18.4732 9.99038 18.1272 11.1557 9.78037 numMergedOcc 0
79 mol 236 unq 7 iso 0 dist 8.95071 18.4732 9.99038 19.2865 10.7497 8.35971 numMergedOcc 0
80 mol 236 unq 8 iso 0 dist 8.95071 12.8358 6.27581 16.0063 9.90963 9.81562 numMergedOcc 0
81 mol 236 unq 9 iso 0 dist 8.95071 12.8358 6.27581 17.4517 11.3368 7.68742 numMergedOcc 0
82 mol 249 unq 0 iso 0 dist 7.79723 4.24754 7.57994 8.14526 5.01979 6.18582 numMergedOcc 0
83 mol 249 unq 1 iso 0 dist 8.14526 4.24754 6.18582 7.79723 5.01979 7.57994 numMergedOcc 0
84 mol 252 unq 0 iso 0 dist 6.17985 6.79111 8.1148 11.8637 8.41807 8.1715 numMergedOcc 0
85 mol 252 unq 1 iso 0 dist 6.17985 6.02958 8.33025 11.8637 8.41807 9.2288 numMergedOcc 0
86 mol 252 unq 2 iso 0 dist 6.17985 6.02958 8.33025 13.0333 14.9102 7.19638 numMergedOcc 0
87 mol 253 unq 0 iso 0 dist 7.38315 10.6994 7.32223 13.8059 7.25988 8.31064 numMergedOcc 0
88 mol 258 unq 0 iso 0 dist 9.2067 9.88911 6.42289 11.1938 7.26417 6.60405 numMergedOcc 0
