0 mol 24 unq 0 iso 0 dist 8.20058 8.45916 4.79736 16.6906 8.86116 12.3058 14.9411 8.38394 10.6772 6.44287 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.20058 8.45916 4.79736 14.9411 8.38394 10.6772 16.6906 8.86116 12.3058 6.44287 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.23095 9.39274 4.77954 10.747 7.31767 11.0249 11.5983 6.03987 7.99919 4.51512 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 6.23095 9.39274 4.77954 11.5983 6.03987 7.99919 10.747 7.31767 11.0249 4.51512 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 6.68311 9.26417 4.03844 8.1124 8.8178 12.4827 15.0607 9.96708 12.111 10.7394 numMergedOcc 0
5 mol 72 unq 0 iso 1 dist 6.68311 9.26417 4.03844 15.0607 9.96708 12.111 8.1124 8.8178 12.4827 10.7394 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 6.7212 8.16985 7.47371 11.6369 9.96708 7.12321 6.12361 9.78528 6.21799 8.24309 numMergedOcc 0
7 mol 72 unq 1 iso 1 dist 6.7212 8.16985 7.47371 6.12361 9.78528 6.21799 11.6369 9.96708 7.12321 8.24309 numMergedOcc 0
8 mol 72 unq 2 iso 0 dist 6.7212 7.81344 9.67587 11.6369 9.96708 9.35457 6.12361 9.78528 5.03251 8.24309 numMergedOcc 0
9 mol 72 unq 2 iso 1 dist 6.7212 7.81344 9.67587 6.12361 9.78528 5.03251 11.6369 9.96708 9.35457 8.24309 numMergedOcc 0
10 mol 72 unq 3 iso 0 dist 6.7212 5.49421 7.07356 11.6369 9.96708 12.1131 6.12361 9.78528 7.66093 8.24309 numMergedOcc 0
11 mol 72 unq 3 iso 1 dist 6.7212 5.49421 7.07356 6.12361 9.78528 7.66093 11.6369 9.96708 12.1131 8.24309 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.05602 4.79891 7.03983 12.0507 5.08437 9.89095 4.72129 6.48948 7.02507 9.51923 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 8.05602 4.79891 7.03983 4.72129 6.48948 7.02507 12.0507 5.08437 9.89095 9.51923 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 8.05602 4.79891 7.03983 12.0507 5.08437 9.89095 12.0339 6.10456 12.7417 8.40073 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 8.05602 4.79891 7.03983 12.0339 6.10456 12.7417 12.0507 5.08437 9.89095 8.40073 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 8.05602 4.79891 7.03983 4.72129 6.48948 7.02507 12.0339 6.10456 12.7417 9.42358 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 8.05602 4.79891 7.03983 12.0339 6.10456 12.7417 4.72129 6.48948 7.02507 9.42358 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 5.85449 6.65086 9.94341 8.8807 numMergedOcc 0
19 mol 100 unq 0 iso 1 dist 5.70279 5.30117 5.47563 5.85449 6.65086 9.94341 5.92158 7.47343 5.35782 8.8807 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 7.68675 6.56369 9.82522 12.6515 numMergedOcc 0
21 mol 100 unq 1 iso 1 dist 5.70279 5.30117 5.47563 7.68675 6.56369 9.82522 5.92158 7.47343 5.35782 12.6515 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 9.53223 9.30209 13.4844 13.887 numMergedOcc 0
23 mol 100 unq 2 iso 1 dist 5.70279 5.30117 5.47563 9.53223 9.30209 13.4844 5.92158 7.47343 5.35782 13.887 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 5.70279 5.30117 5.47563 5.85449 6.65086 9.94341 7.68675 6.56369 9.82522 7.80879 numMergedOcc 0
25 mol 100 unq 1 iso 1 dist 5.70279 5.30117 5.47563 7.68675 6.56369 9.82522 5.85449 6.65086 9.94341 7.80879 numMergedOcc 0
26 mol 100 unq 2 iso 0 dist 5.70279 5.30117 5.47563 5.85449 6.65086 9.94341 9.53223 9.30209 13.4844 5.38414 numMergedOcc 0
27 mol 100 unq 2 iso 1 dist 5.70279 5.30117 5.47563 9.53223 9.30209 13.4844 5.85449 6.65086 9.94341 5.38414 numMergedOcc 0
28 mol 100 unq 2 iso 0 dist 5.70279 5.30117 5.47563 7.68675 6.56369 9.82522 9.53223 9.30209 13.4844 6.39938 numMergedOcc 0
29 mol 100 unq 2 iso 1 dist 5.70279 5.30117 5.47563 9.53223 9.30209 13.4844 7.68675 6.56369 9.82522 6.39938 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 6.23966 8.46972 6.28232 5.16275 9.61051 11.3039 6.65856 5.83384 11.7541 9.05135 numMergedOcc 0
31 mol 129 unq 0 iso 1 dist 6.23966 8.46972 6.28232 6.65856 5.83384 11.7541 5.16275 9.61051 11.3039 9.05135 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 9.79004 4.79003 6.9945 10.0277 7.24514 10.4642 7.33132 8.22656 7.22643 6.65743 numMergedOcc 0
33 mol 133 unq 0 iso 1 dist 9.79004 4.79003 6.9945 7.33132 8.22656 7.22643 10.0277 7.24514 10.4642 6.65743 numMergedOcc 0
34 mol 142 unq 0 iso 0 dist 7.15087 5.90339 4.67662 8.68855 9.2313 7.81207 5.50176 5.31024 6.14151 5.32922 numMergedOcc 0
35 mol 142 unq 0 iso 1 dist 7.15087 5.90339 4.67662 5.50176 5.31024 6.14151 8.68855 9.2313 7.81207 5.32922 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 5.47561 8.51427 6.84862 10.6375 8.01589 14.4477 5.39098 7.7699 10.0233 10.4579 numMergedOcc 0
37 mol 222 unq 0 iso 1 dist 5.47561 8.51427 6.84862 5.39098 7.7699 10.0233 10.6375 8.01589 14.4477 10.4579 numMergedOcc 0
38 mol 222 unq 1 iso 0 dist 5.47561 8.51427 6.84862 10.6375 8.01589 14.4477 5.60111 7.21333 5.56538 13.3522 numMergedOcc 0
39 mol 222 unq 1 iso 1 dist 5.47561 8.51427 6.84862 5.60111 7.21333 5.56538 10.6375 8.01589 14.4477 13.3522 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 5.47561 8.51427 6.84862 5.39098 7.7699 10.0233 5.60111 7.21333 5.56538 5.24516 numMergedOcc 0
41 mol 222 unq 1 iso 1 dist 5.47561 8.51427 6.84862 5.60111 7.21333 5.56538 5.39098 7.7699 10.0233 5.24516 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 9.73411 5.31916 7.05804 14.1073 8.95269 13.2325 9.81806 6.57273 8.79428 4.70378 numMergedOcc 0
43 mol 224 unq 0 iso 1 dist 9.73411 5.31916 7.05804 9.81806 6.57273 8.79428 14.1073 8.95269 13.2325 4.70378 numMergedOcc 0
44 mol 224 unq 1 iso 0 dist 9.73411 5.31916 7.05804 14.1073 8.95269 13.2325 5.99647 5.78342 6.8692 11.5372 numMergedOcc 0
45 mol 224 unq 1 iso 1 dist 9.73411 5.31916 7.05804 5.99647 5.78342 6.8692 14.1073 8.95269 13.2325 11.5372 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 9.73411 5.31916 7.05804 9.81806 6.57273 8.79428 5.99647 5.78342 6.8692 8.49799 numMergedOcc 0
47 mol 224 unq 1 iso 1 dist 9.73411 5.31916 7.05804 5.99647 5.78342 6.8692 9.81806 6.57273 8.79428 8.49799 numMergedOcc 0
48 mol 229 unq 0 iso 0 dist 5.00457 8.3932 4.92403 5.65373 7.03423 10.3243 6.23084 9.06952 13.7137 6.84129 numMergedOcc 0
49 mol 229 unq 0 iso 1 dist 5.00457 8.3932 4.92403 6.23084 9.06952 13.7137 5.65373 7.03423 10.3243 6.84129 numMergedOcc 0
50 mol 280 unq 0 iso 0 dist 8.80588 6.16546 4.90315 8.30978 6.53701 6.02353 5.80223 6.0664 6.86234 5.51836 numMergedOcc 0
51 mol 280 unq 0 iso 1 dist 8.80588 6.16546 4.90315 5.80223 6.0664 6.86234 8.30978 6.53701 6.02353 5.51836 numMergedOcc 0
