0 mol 14 unq 0 iso 0 dist 8.60571 10.9516 9.58196 7.12085 9.7022 5.53425 13.0019 5.76302 8.84686 11.9706 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 8.60571 10.9516 9.58196 11.3111 9.04767 4.53725 13.0019 5.76302 8.84686 9.6726 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 14.9411 8.38394 6.44287 11.6434 5.11636 7.95042 10.9819 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 6.23095 11.5983 6.03987 10.747 7.31767 4.51512 9.39274 4.77954 7.99919 11.0249 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 8.1124 8.8178 10.7394 12.0518 5.69391 9.55118 13.6019 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 8.1124 8.8178 10.7394 19.2494 13.4212 9.10345 18.0706 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 6.7212 11.6369 9.96708 6.12361 9.78528 8.24309 8.16985 7.47371 7.12321 6.21799 numMergedOcc 0
7 mol 72 unq 3 iso 0 dist 6.7212 6.12361 9.78528 11.6369 9.96708 8.24309 8.16985 7.47371 6.21799 7.12321 numMergedOcc 0
8 mol 72 unq 4 iso 0 dist 6.7212 6.12361 9.78528 11.6369 9.96708 8.24309 7.81344 9.67587 5.03251 9.35457 numMergedOcc 0
9 mol 72 unq 5 iso 0 dist 6.7212 6.12361 9.78528 11.6369 9.96708 8.24309 5.49421 7.07356 7.66093 12.1131 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 11.609 7.47541 5.42586 11.6278 5.59906 7.7068 10.2413 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 5.29763 5.73196 10.1164 11.6278 5.59906 7.7068 11.2056 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 4.72129 6.48948 9.51923 9.55337 3.9764 5.10496 5.92242 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 8.05602 12.0507 5.08437 12.0339 6.10456 8.40073 9.55337 3.9764 5.10496 5.2571 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 8.05602 4.72129 6.48948 12.0507 5.08437 9.51923 9.55337 3.9764 5.92242 5.10496 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 8.05602 4.72129 6.48948 12.0507 5.08437 9.51923 4.79891 7.03983 7.02507 9.89095 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 8.05602 4.72129 6.48948 12.0339 6.10456 9.42358 9.55337 3.9764 5.92242 5.2571 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 8.05602 4.72129 6.48948 12.0339 6.10456 9.42358 4.79891 7.03983 7.02507 12.7417 numMergedOcc 0
18 mol 98 unq 6 iso 0 dist 8.05602 12.0339 6.10456 12.0507 5.08437 8.40073 15.2414 10.4782 7.54889 9.81956 numMergedOcc 0
19 mol 98 unq 7 iso 0 dist 8.05602 12.0339 6.10456 12.0507 5.08437 8.40073 9.55337 3.9764 5.2571 5.10496 numMergedOcc 0
20 mol 98 unq 8 iso 0 dist 8.05602 12.0339 6.10456 4.72129 6.48948 9.42358 15.2414 10.4782 7.54889 10.8223 numMergedOcc 0
21 mol 98 unq 9 iso 0 dist 8.05602 12.0339 6.10456 4.72129 6.48948 9.42358 9.55337 3.9764 5.2571 5.92242 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 5.70279 5.92158 7.47343 5.85449 6.65086 8.8807 8.38273 5.9143 7.82475 11.9928 numMergedOcc 0
23 mol 100 unq 1 iso 0 dist 5.70279 5.92158 7.47343 5.85449 6.65086 8.8807 5.30117 5.47563 5.35782 9.94341 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 8.38273 5.9143 7.82475 10.694 numMergedOcc 0
25 mol 100 unq 3 iso 0 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 5.30117 5.47563 5.35782 9.82522 numMergedOcc 0
26 mol 100 unq 4 iso 0 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 8.38273 5.9143 7.82475 14.966 numMergedOcc 0
27 mol 100 unq 5 iso 0 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 5.30117 5.47563 5.35782 13.4844 numMergedOcc 0
28 mol 100 unq 6 iso 0 dist 5.70279 5.85449 6.65086 5.92158 7.47343 8.8807 10.7785 6.23008 8.91882 9.76432 numMergedOcc 0
29 mol 100 unq 7 iso 0 dist 5.70279 5.85449 6.65086 7.68675 6.56369 7.80879 10.7785 6.23008 8.91882 11.5088 numMergedOcc 0
30 mol 100 unq 8 iso 0 dist 5.70279 5.85449 6.65086 9.53223 9.30209 5.38414 10.7785 6.23008 8.91882 11.6812 numMergedOcc 0
31 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 5.19652 6.11741 8.02349 13.829 6.95773 6.24825 10.0255 numMergedOcc 0
32 mol 117 unq 0 iso 0 dist 7.0318 5.21051 7.90328 8.12649 9.84395 13.1058 11.6159 7.20875 8.84018 16.804 numMergedOcc 0
33 mol 129 unq 0 iso 0 dist 6.23966 6.65856 5.83384 5.16275 9.61051 9.05135 11.3401 9.00231 5.58833 14.5521 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 9.79004 7.33132 8.22656 10.0277 7.24514 6.65743 4.79003 6.9945 7.22643 10.4642 numMergedOcc 0
35 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.0971 9.71307 6.81259 15.3301 10.8635 9.33094 8.69531 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 7.27598 12.0971 9.71307 6.50005 6.37586 6.81259 17.5459 15.0225 9.1998 11.0808 numMergedOcc 0
37 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 6.50005 6.37586 6.81259 15.3301 10.8635 8.69531 9.33094 numMergedOcc 0
38 mol 134 unq 3 iso 0 dist 5.57904 6.50005 6.49416 7.41837 6.54501 5.00526 15.3301 12.3479 9.33094 11.2896 numMergedOcc 0
39 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 5.50176 5.31024 5.32922 5.90339 4.67662 7.81207 6.14151 numMergedOcc 0
40 mol 142 unq 1 iso 0 dist 7.15087 8.68855 9.2313 5.50176 5.31024 5.32922 15.501 13.5913 7.18002 10.7696 numMergedOcc 0
41 mol 142 unq 2 iso 0 dist 7.15087 5.50176 5.31024 8.68855 9.2313 5.32922 5.90339 4.67662 6.14151 7.81207 numMergedOcc 0
42 mol 186 unq 0 iso 0 dist 5.16813 8.61343 7.54065 5.87924 9.70748 13.8792 12.6239 11.0961 6.61112 18.4751 numMergedOcc 0
43 mol 186 unq 1 iso 0 dist 5.16813 8.61343 7.54065 11.0854 8.87694 5.74635 12.6239 11.0961 6.61112 11.456 numMergedOcc 0
44 mol 222 unq 0 iso 0 dist 5.47561 5.60111 7.21333 10.6375 8.01589 13.3522 8.51427 6.84862 5.56538 14.4477 numMergedOcc 0
45 mol 222 unq 1 iso 0 dist 5.47561 5.60111 7.21333 10.6375 8.01589 13.3522 11.6182 9.53117 7.48954 16.3082 numMergedOcc 0
46 mol 222 unq 2 iso 0 dist 5.47561 5.60111 7.21333 5.39098 7.7699 5.24516 8.51427 6.84862 5.56538 10.0233 numMergedOcc 0
47 mol 222 unq 3 iso 0 dist 5.47561 5.60111 7.21333 5.39098 7.7699 5.24516 11.6182 9.53117 7.48954 11.839 numMergedOcc 0
48 mol 224 unq 0 iso 0 dist 9.73411 9.81806 6.57273 14.1073 8.95269 4.70378 5.31916 7.05804 8.79428 13.2325 numMergedOcc 0
49 mol 224 unq 1 iso 0 dist 9.73411 9.81806 6.57273 5.99647 5.78342 8.49799 5.31916 7.05804 8.79428 6.8692 numMergedOcc 0
50 mol 224 unq 2 iso 0 dist 9.73411 5.99647 5.78342 14.1073 8.95269 11.5372 5.31916 7.05804 6.8692 13.2325 numMergedOcc 0
51 mol 224 unq 3 iso 0 dist 9.73411 5.99647 5.78342 9.81806 6.57273 8.49799 5.31916 7.05804 6.8692 8.79428 numMergedOcc 0
52 mol 224 unq 4 iso 0 dist 7.07564 10.8463 6.57273 11.8217 8.95269 4.70378 11.6723 7.05804 8.79428 13.2325 numMergedOcc 0
53 mol 224 unq 5 iso 0 dist 7.07564 10.8463 6.57273 5.44863 5.78342 8.49799 11.6723 7.05804 8.79428 6.8692 numMergedOcc 0
54 mol 224 unq 6 iso 0 dist 7.07564 5.44863 5.78342 11.8217 8.95269 11.5372 11.6723 7.05804 6.8692 13.2325 numMergedOcc 0
55 mol 224 unq 7 iso 0 dist 7.07564 5.44863 5.78342 10.8463 6.57273 8.49799 11.6723 7.05804 6.8692 8.79428 numMergedOcc 0
56 mol 229 unq 0 iso 0 dist 5.00457 5.65373 7.03423 6.23084 9.06952 6.84129 10.3383 7.22525 7.27993 11.9869 numMergedOcc 0
57 mol 280 unq 0 iso 0 dist 8.80588 8.30978 6.53701 5.80223 6.0664 5.51836 6.16546 4.90315 6.02353 6.86234 numMergedOcc 0
58 mol 280 unq 1 iso 0 dist 8.80588 5.80223 6.0664 8.30978 6.53701 5.51836 6.16546 4.90315 6.86234 6.02353 numMergedOcc 0
