0 mol 7 unq 0 iso 0 dist 6.7985 9.0379 9.68596 8.43473 6.14469 5.03847 13.2603 13.0969 6.36911 9.97624 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.68596 9.0379 6.7985 5.03847 6.14469 8.43473 6.36911 13.0969 13.2603 9.97624 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.32257 6.14147 6.55811 8.50424 7.35972 6.02809 12.7944 13.9252 14.4698 9.57198 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 6.55811 6.14147 7.32257 6.02809 7.35972 8.50424 14.4698 13.9252 12.7944 9.57198 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 7.32257 10.5747 8.64915 8.50424 7.35972 4.98827 12.7944 13.9252 14.4218 9.57198 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 8.64915 10.5747 7.32257 4.98827 7.35972 8.50424 14.4218 13.9252 12.7944 9.57198 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 6.55811 5.06358 8.64915 6.02809 7.35972 4.98827 14.4698 13.9252 14.4218 9.57198 numMergedOcc 0
7 mol 9 unq 1 iso 1 dist 8.64915 5.06358 6.55811 4.98827 7.35972 6.02809 14.4218 13.9252 14.4698 9.57198 numMergedOcc 0
8 mol 9 unq 2 iso 0 dist 7.36018 5.06358 8.17347 6.02809 9.93542 4.98827 14.4698 18.4167 14.4218 9.57198 numMergedOcc 0
9 mol 9 unq 2 iso 1 dist 8.17347 5.06358 7.36018 4.98827 9.93542 6.02809 14.4218 18.4167 14.4698 9.57198 numMergedOcc 0
10 mol 15 unq 0 iso 0 dist 5.89412 11.0528 7.07399 9.75966 6.03257 4.39605 9.29358 6.19131 10.2062 6.50647 numMergedOcc 0
11 mol 15 unq 0 iso 1 dist 7.07399 11.0528 5.89412 4.39605 6.03257 9.75966 10.2062 6.19131 9.29358 6.50647 numMergedOcc 0
12 mol 19 unq 0 iso 0 dist 8.40416 7.67038 7.75618 4.64838 9.95212 4.97119 6.20943 11.4087 7.82528 5.82366 numMergedOcc 0
13 mol 19 unq 0 iso 1 dist 7.75618 7.67038 8.40416 4.97119 9.95212 4.64838 7.82528 11.4087 6.20943 5.82366 numMergedOcc 0
14 mol 19 unq 1 iso 0 dist 6.41575 5.80928 6.41423 9.74255 9.95212 7.08342 9.58539 5.90856 8.58657 7.02548 numMergedOcc 0
15 mol 19 unq 1 iso 1 dist 6.41423 5.80928 6.41575 7.08342 9.95212 9.74255 8.58657 5.90856 9.58539 7.02548 numMergedOcc 0
16 mol 25 unq 0 iso 0 dist 8.87757 15.5644 8.50222 13.9331 8.88938 10.5328 9.43699 6.06874 12.8446 6.63839 numMergedOcc 0
17 mol 25 unq 0 iso 1 dist 8.50222 15.5644 8.87757 10.5328 8.88938 13.9331 12.8446 6.06874 9.43699 6.63839 numMergedOcc 0
18 mol 25 unq 1 iso 0 dist 8.87757 16.1048 7.55264 13.9331 8.88938 10.4337 9.43699 6.06874 11.7303 6.63839 numMergedOcc 0
19 mol 25 unq 1 iso 1 dist 7.55264 16.1048 8.87757 10.4337 8.88938 13.9331 11.7303 6.06874 9.43699 6.63839 numMergedOcc 0
20 mol 25 unq 1 iso 0 dist 8.50222 4.33106 7.55264 10.5328 8.88938 10.4337 12.8446 6.06874 11.7303 6.63839 numMergedOcc 0
21 mol 25 unq 1 iso 1 dist 7.55264 4.33106 8.50222 10.4337 8.88938 10.5328 11.7303 6.06874 12.8446 6.63839 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 6.16242 7.81217 5.87634 12.131 8.95662 14.8102 11.3058 11.5342 16.0613 9.50664 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 5.87634 7.81217 6.16242 14.8102 8.95662 12.131 16.0613 11.5342 11.3058 9.50664 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 5.83771 5.79898 7.80532 4.60632 6.40575 5.71679 12.7291 10.6595 10.9685 8.55616 numMergedOcc 0
25 mol 134 unq 0 iso 1 dist 7.80532 5.79898 5.83771 5.71679 6.40575 4.60632 10.9685 10.6595 12.7291 8.55616 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 5.83771 5.79898 7.80532 4.60632 6.40575 5.71679 12.0514 14.1488 8.6355 8.73604 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 7.80532 5.79898 5.83771 5.71679 6.40575 4.60632 8.6355 14.1488 12.0514 8.73604 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 6.2479 6.01247 6.22122 8.04639 8.86197 13.0409 10.7636 7.23063 13.1996 6.32777 numMergedOcc 0
29 mol 181 unq 0 iso 1 dist 6.22122 6.01247 6.2479 13.0409 8.86197 8.04639 13.1996 7.23063 10.7636 6.32777 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 6.2479 8.88798 7.99195 8.04639 8.86197 5.77299 10.7636 7.23063 7.13543 6.32777 numMergedOcc 0
31 mol 181 unq 1 iso 1 dist 7.99195 8.88798 6.2479 5.77299 8.86197 8.04639 7.13543 7.23063 10.7636 6.32777 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 6.22122 12.6324 7.99195 13.0409 8.86197 5.77299 13.1996 7.23063 7.13543 6.32777 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 7.99195 12.6324 6.22122 5.77299 8.86197 13.0409 7.13543 7.23063 13.1996 6.32777 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 8.50102 6.56633 9.40808 6.2188 9.78181 12.5452 7.07392 10.9886 11.5589 7.10413 numMergedOcc 0
35 mol 232 unq 0 iso 1 dist 9.40808 6.56633 8.50102 12.5452 9.78181 6.2188 11.5589 10.9886 7.07392 7.10413 numMergedOcc 0
36 mol 235 unq 0 iso 0 dist 6.36341 8.31875 6.21292 5.5163 6.94789 7.77516 10.4621 7.96337 5.65339 6.54825 numMergedOcc 0
37 mol 235 unq 0 iso 1 dist 6.21292 8.31875 6.36341 7.77516 6.94789 5.5163 5.65339 7.96337 10.4621 6.54825 numMergedOcc 0
38 mol 235 unq 1 iso 0 dist 6.36341 10.5547 9.21736 5.5163 6.94789 11.7254 10.4621 7.96337 9.96742 6.54825 numMergedOcc 0
39 mol 235 unq 1 iso 1 dist 9.21736 10.5547 6.36341 11.7254 6.94789 5.5163 9.96742 7.96337 10.4621 6.54825 numMergedOcc 0
40 mol 235 unq 1 iso 0 dist 6.21292 4.53064 9.21736 7.77516 6.94789 11.7254 5.65339 7.96337 9.96742 6.54825 numMergedOcc 0
41 mol 235 unq 1 iso 1 dist 9.21736 4.53064 6.21292 11.7254 6.94789 7.77516 9.96742 7.96337 5.65339 6.54825 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 8.94014 5.6348 7.02333 5.50308 5.92374 7.11984 10.6978 4.38002 8.14172 6.62002 numMergedOcc 0
43 mol 238 unq 0 iso 1 dist 7.02333 5.6348 8.94014 7.11984 5.92374 5.50308 8.14172 4.38002 10.6978 6.62002 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 8.94014 5.6348 7.02333 5.50308 5.92374 7.11984 11.1159 14.6816 12.7101 9.69818 numMergedOcc 0
45 mol 238 unq 1 iso 1 dist 7.02333 5.6348 8.94014 7.11984 5.92374 5.50308 12.7101 14.6816 11.1159 9.69818 numMergedOcc 0
46 mol 238 unq 2 iso 0 dist 8.94014 5.6348 7.02333 5.50308 5.92374 7.11984 6.05141 11.5793 8.09066 6.73446 numMergedOcc 0
47 mol 238 unq 2 iso 1 dist 7.02333 5.6348 8.94014 7.11984 5.92374 5.50308 8.09066 11.5793 6.05141 6.73446 numMergedOcc 0
48 mol 238 unq 3 iso 0 dist 8.94014 8.87326 8.67864 5.50308 5.92374 7.95232 10.6978 4.38002 6.77463 6.62002 numMergedOcc 0
49 mol 238 unq 3 iso 1 dist 8.67864 8.87326 8.94014 7.95232 5.92374 5.50308 6.77463 4.38002 10.6978 6.62002 numMergedOcc 0
50 mol 238 unq 4 iso 0 dist 8.94014 8.87326 8.67864 5.50308 5.92374 7.95232 11.1159 14.6816 9.93432 9.69818 numMergedOcc 0
51 mol 238 unq 4 iso 1 dist 8.67864 8.87326 8.94014 7.95232 5.92374 5.50308 9.93432 14.6816 11.1159 9.69818 numMergedOcc 0
52 mol 238 unq 5 iso 0 dist 8.94014 8.87326 8.67864 5.50308 5.92374 7.95232 6.05141 11.5793 7.2766 6.73446 numMergedOcc 0
53 mol 238 unq 5 iso 1 dist 8.67864 8.87326 8.94014 7.95232 5.92374 5.50308 7.2766 11.5793 6.05141 6.73446 numMergedOcc 0
54 mol 238 unq 3 iso 0 dist 7.02333 5.31152 8.67864 7.11984 5.92374 7.95232 8.14172 4.38002 6.77463 6.62002 numMergedOcc 0
55 mol 238 unq 3 iso 1 dist 8.67864 5.31152 7.02333 7.95232 5.92374 7.11984 6.77463 4.38002 8.14172 6.62002 numMergedOcc 0
56 mol 238 unq 4 iso 0 dist 7.02333 5.31152 8.67864 7.11984 5.92374 7.95232 12.7101 14.6816 9.93432 9.69818 numMergedOcc 0
57 mol 238 unq 4 iso 1 dist 8.67864 5.31152 7.02333 7.95232 5.92374 7.11984 9.93432 14.6816 12.7101 9.69818 numMergedOcc 0
58 mol 238 unq 5 iso 0 dist 7.02333 5.31152 8.67864 7.11984 5.92374 7.95232 8.09066 11.5793 7.2766 6.73446 numMergedOcc 0
59 mol 238 unq 5 iso 1 dist 8.67864 5.31152 7.02333 7.95232 5.92374 7.11984 7.2766 11.5793 8.09066 6.73446 numMergedOcc 0
60 mol 274 unq 0 iso 0 dist 8.52587 11.3308 6.39866 16.3619 9.16942 5.64601 12.5979 4.60275 9.19234 9.20749 numMergedOcc 0
61 mol 274 unq 0 iso 1 dist 6.39866 11.3308 8.52587 5.64601 9.16942 16.3619 9.19234 4.60275 12.5979 9.20749 numMergedOcc 0
