0 mol 43 unq 0 iso 0 dist 6.84521 5.84171 5.73819 8.90024 5.06502 6.20293 10.8355 4.96926 6.75943 5.41726 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 6.84521 5.84171 5.73819 6.78532 5.89973 8.93915 10.8355 4.96926 6.75943 10.0383 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.06275 10.4413 6.20293 12.0618 5.06502 5.73819 8.74209 5.41726 6.75943 4.96926 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.06275 10.4413 6.20293 14.4184 6.45462 8.93915 8.74209 5.41726 6.75943 10.0383 numMergedOcc 0
4 mol 43 unq 4 iso 0 dist 8.90024 5.84171 6.20293 6.84521 5.06502 5.73819 10.8355 5.41726 6.75943 4.96926 numMergedOcc 0
5 mol 43 unq 5 iso 0 dist 8.90024 5.84171 6.20293 6.78532 6.45462 8.93915 10.8355 5.41726 6.75943 10.0383 numMergedOcc 0
6 mol 43 unq 6 iso 0 dist 6.78532 5.84171 8.93915 6.84521 5.89973 5.73819 10.8355 10.0383 6.75943 4.96926 numMergedOcc 0
7 mol 43 unq 7 iso 0 dist 6.78532 5.84171 8.93915 8.90024 6.45462 6.20293 10.8355 10.0383 6.75943 5.41726 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 9.43143 16.2349 9.96708 16.5383 8.24309 9.78528 13.9281 5.69391 9.55118 9.78221 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 9.43143 16.2349 9.96708 16.5383 8.24309 9.78528 22.0093 13.4212 9.10345 11.6634 numMergedOcc 0
10 mol 72 unq 2 iso 0 dist 5.48831 13.0773 9.96708 15.2832 10.7394 8.8178 11.3204 7.47371 7.12321 4.27726 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 13.2455 4.26409 7.95579 13.066 4.41789 7.7068 6.36397 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 11.5591 6.9948 7.66905 13.066 4.41789 7.7068 5.59906 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 12.3834 8.41707 8.03644 10.3611 3.94537 9.3948 11.3215 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 8.07365 14.1188 7.27724 12.3834 8.41707 8.03644 9.96649 6.12605 9.74607 5.06946 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 7.90775 4.16047 9.03572 9.96562 6.59319 8.83255 8.57607 4.99174 8.27883 8.67311 numMergedOcc 0
16 mol 95 unq 3 iso 0 dist 7.90775 4.16047 9.03572 9.96562 6.59319 8.83255 6.1991 4.46005 5.75428 3.94293 numMergedOcc 0
17 mol 95 unq 4 iso 0 dist 7.90775 4.16047 9.03572 9.96562 6.59319 8.83255 5.96246 8.28518 8.57395 9.22202 numMergedOcc 0
18 mol 95 unq 5 iso 0 dist 7.90775 4.16047 9.03572 9.96562 6.59319 8.83255 10.1197 15.917 9.85409 13.7484 numMergedOcc 0
19 mol 95 unq 6 iso 0 dist 7.90775 4.16047 9.03572 11.3191 16.6055 8.03644 8.57607 4.99174 8.27883 15.6249 numMergedOcc 0
20 mol 95 unq 7 iso 0 dist 7.90775 4.16047 9.03572 11.3191 16.6055 8.03644 6.1991 4.46005 5.75428 12.4896 numMergedOcc 0
21 mol 95 unq 8 iso 0 dist 7.90775 4.16047 9.03572 11.3191 16.6055 8.03644 5.96246 8.28518 8.57395 14.2178 numMergedOcc 0
22 mol 95 unq 9 iso 0 dist 7.90775 4.16047 9.03572 11.3191 16.6055 8.03644 10.1197 15.917 9.85409 8.78079 numMergedOcc 0
23 mol 95 unq 10 iso 0 dist 6.86713 9.70895 8.03644 12.4296 8.41707 7.27724 16.0926 11.3215 9.3948 3.94537 numMergedOcc 0
24 mol 95 unq 11 iso 0 dist 6.86713 9.70895 8.03644 12.4296 8.41707 7.27724 11.392 5.06946 9.74607 6.12605 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 7.5055 10.9541 8.22656 13.494 6.65743 7.24514 10.7738 4.88025 8.26547 5.03174 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 10.9216 5.49782 8.94367 14.395 10.8635 9.33094 7.41373 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 8.84656 10.879 6.37586 4.9155 5.00817 6.49416 14.395 10.8635 9.33094 12.3479 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 8.84656 16.7911 9.71307 10.9216 5.49782 9.86662 18.4308 15.0225 9.1998 12.8086 numMergedOcc 0
29 mol 134 unq 3 iso 0 dist 8.84656 16.7911 9.71307 10.9216 5.49782 9.86662 14.395 10.8635 8.69531 7.41373 numMergedOcc 0
30 mol 134 unq 4 iso 0 dist 4.9155 10.879 6.49416 10.9216 8.80819 8.94367 14.395 12.3479 9.33094 7.41373 numMergedOcc 0
31 mol 134 unq 5 iso 0 dist 4.9155 10.879 6.49416 8.84656 5.00817 6.37586 14.395 12.3479 9.33094 10.8635 numMergedOcc 0
32 mol 134 unq 6 iso 0 dist 8.49987 10.9399 6.49416 14.7559 8.80819 8.94367 14.5869 12.3479 9.33094 7.41373 numMergedOcc 0
33 mol 134 unq 7 iso 0 dist 8.49987 10.9399 6.49416 13.0189 5.00817 6.37586 14.5869 12.3479 9.33094 10.8635 numMergedOcc 0
34 mol 134 unq 8 iso 0 dist 9.42271 7.07625 6.49416 9.79337 8.80819 8.94367 6.14652 12.3479 9.33094 7.41373 numMergedOcc 0
35 mol 134 unq 9 iso 0 dist 9.42271 7.07625 6.49416 10.5814 5.00817 6.37586 6.14652 12.3479 9.33094 10.8635 numMergedOcc 0
36 mol 134 unq 10 iso 0 dist 5.79157 13.0109 9.86662 9.87619 6.81259 8.94367 8.8437 4.00092 7.21868 8.06642 numMergedOcc 0
37 mol 134 unq 11 iso 0 dist 5.79157 14.1608 9.71307 9.87619 6.81259 6.37586 14.4761 10.2026 9.33924 6.95573 numMergedOcc 0
38 mol 134 unq 12 iso 0 dist 5.79157 14.1608 9.71307 9.87619 6.81259 6.37586 8.8437 4.00092 7.93372 8.06642 numMergedOcc 0
39 mol 152 unq 0 iso 0 dist 8.34839 10.5295 6.70283 12.6531 5.42328 5.87555 9.4275 5.39112 6.70693 4.94983 numMergedOcc 0
40 mol 152 unq 1 iso 0 dist 8.34839 10.5295 6.70283 14.5994 6.4896 8.67331 9.4275 5.39112 6.70693 9.67475 numMergedOcc 0
41 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 17.2412 13.2049 9.1374 11.0622 6.50233 9.76212 12.9532 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 13.7769 8.18714 6.03031 6.32553 3.56269 6.52816 9.49403 numMergedOcc 0
43 mol 205 unq 1 iso 0 dist 9.25882 9.40714 7.80463 16.4532 13.8543 7.26832 6.32553 3.56269 6.52816 13.514 numMergedOcc 0
44 mol 222 unq 0 iso 0 dist 7.88846 6.17038 7.54212 10.9296 6.8425 6.00706 11.0981 12.8595 6.74196 8.84507 numMergedOcc 0
45 mol 222 unq 1 iso 0 dist 7.88846 6.17038 7.54212 10.9296 6.8425 6.00706 14.5172 12.5866 8.36842 6.02502 numMergedOcc 0
46 mol 222 unq 2 iso 0 dist 7.88846 6.17038 7.54212 10.9296 6.8425 6.00706 15.5123 11.9567 9.75472 5.18677 numMergedOcc 0
47 mol 224 unq 0 iso 0 dist 8.14754 7.43271 5.81334 10.5219 5.60236 5.78342 11.7375 4.54188 6.8692 7.05804 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 8.14754 7.43271 5.81334 14.3431 6.91102 9.16166 11.7375 4.54188 6.8692 5.76843 numMergedOcc 0
49 mol 229 unq 0 iso 0 dist 6.32302 6.52416 8.22528 6.88694 5.57838 7.03423 9.90415 5.70473 7.27993 7.22525 numMergedOcc 0
50 mol 229 unq 1 iso 0 dist 6.88694 6.52416 7.03423 6.32302 5.57838 8.22528 9.90415 7.22525 7.27993 5.70473 numMergedOcc 0
51 mol 229 unq 2 iso 0 dist 8.53615 6.81165 8.22528 11.0334 5.57838 7.03423 5.96615 5.70473 7.27993 7.22525 numMergedOcc 0
52 mol 236 unq 0 iso 0 dist 8.95071 12.8358 6.27581 16.0063 9.90963 9.81562 14.8517 10.5774 9.3206 4.27181 numMergedOcc 0
53 mol 236 unq 1 iso 0 dist 8.95071 12.8358 6.27581 17.4517 11.3368 7.68742 14.8517 10.5774 9.3206 4.89609 numMergedOcc 0
