0 mol 7 unq 0 iso 0 dist 7.32392 10.5949 6.7985 11.9168 8.43473 6.14469 15.5277 9.60499 6.55304 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.32392 10.5949 6.7985 11.9168 8.43473 6.14469 10.5485 11.0773 6.34041 8.72114 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.15434 10.7937 8.72114 10.5066 6.34041 6.14469 16.6114 11.0773 8.43473 6.7985 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.15434 10.7937 8.72114 10.5066 6.34041 6.14469 13.7354 10.5461 5.03847 9.68596 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.16444 5.86578 7.32257 10.26 8.50424 7.35972 16.2358 15.1483 16.147 9.62394 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.20058 13.4836 8.60554 20.0654 14.012 6.72323 16.6906 8.86116 8.52463 9.41441 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.20058 13.4836 8.60554 20.0654 14.012 6.72323 17.0327 13.2433 5.11617 6.73939 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 9.22151 6.63966 8.50222 10.2461 9.34396 6.25843 4.96681 7.57578 6.08585 6.16347 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 9.22151 6.63966 8.50222 10.2461 9.34396 6.25843 12.2441 12.7009 5.77929 7.45383 numMergedOcc 0
9 mol 25 unq 2 iso 0 dist 9.22151 6.63966 8.50222 13.6671 10.5328 8.88938 12.2441 12.7009 5.77929 9.01548 numMergedOcc 0
10 mol 25 unq 3 iso 0 dist 6.22122 6.63966 7.55264 10.2461 10.8498 6.25843 4.96681 7.17969 6.08585 6.16347 numMergedOcc 0
11 mol 25 unq 4 iso 0 dist 6.22122 6.63966 7.55264 10.2461 10.8498 6.25843 12.2441 12.8117 5.77929 7.45383 numMergedOcc 0
12 mol 25 unq 5 iso 0 dist 6.22122 6.63966 7.55264 13.6671 10.4337 8.88938 12.2441 12.8117 5.77929 9.01548 numMergedOcc 0
13 mol 91 unq 0 iso 0 dist 9.00902 8.07487 5.73743 15.3154 10.1024 8.66165 9.96169 10.2307 4.57085 9.30539 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 8.05602 11.0132 6.65501 13.251 7.06961 6.88901 12.0507 5.08437 4.4057 6.7117 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 8.05602 11.0132 6.65501 13.251 7.06961 6.88901 12.0339 6.10456 9.67482 4.47349 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 8.05602 11.0132 6.65501 13.251 7.06961 6.88901 16.9512 10.1136 12.0974 5.65185 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 8.22596 6.21679 7.80975 12.0939 5.42531 9.5057 12.6449 10.1489 10.6848 7.01812 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 8.22596 6.21679 7.80975 12.0939 5.42531 9.5057 17.9195 13.2001 15.3454 8.30845 numMergedOcc 0
19 mol 100 unq 2 iso 0 dist 5.70279 10.838 8.30845 19.3411 15.3454 9.5057 16.0226 13.2001 5.42531 7.80975 numMergedOcc 0
20 mol 100 unq 3 iso 0 dist 5.70279 10.838 8.30845 19.3411 15.3454 9.5057 14.5809 10.5134 8.4128 7.10378 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 6.23966 6.47522 6.28565 15.008 10.7293 9.73158 6.65856 5.83384 4.55551 9.36851 numMergedOcc 0
22 mol 129 unq 1 iso 0 dist 6.23966 6.47522 6.28565 11.0726 7.29399 7.59327 6.65856 5.83384 4.55551 4.97175 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 5.57904 12.4426 7.80532 9.95528 5.71679 6.40575 7.41837 6.54501 7.41674 7.69991 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 5.57904 12.4426 7.80532 9.95528 5.71679 6.40575 6.50005 6.49416 9.87376 6.23142 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 5.57904 12.4426 7.80532 9.95528 5.71679 6.40575 12.0971 12.5075 14.9876 9.94764 numMergedOcc 0
26 mol 156 unq 0 iso 0 dist 9.19499 5.02458 9.44367 10.6749 5.71511 8.37434 5.66289 7.44554 5.4555 9.4013 numMergedOcc 0
27 mol 156 unq 1 iso 0 dist 7.11647 5.02458 7.90267 10.6749 6.13574 8.37434 5.66289 8.94056 5.4555 9.4013 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 7.13441 8.99392 8.24693 13.7696 12.6853 5.25109 15.1276 16.2078 11.5561 9.61462 numMergedOcc 0
29 mol 171 unq 1 iso 0 dist 7.13441 5.68701 6.71356 13.7696 12.6853 8.21618 15.1276 16.2078 10.844 9.61462 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 8.90247 6.56225 6.2479 11.3392 4.43096 7.32087 14.0828 8.03334 7.81713 6.46704 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 8.90247 6.56225 6.2479 13.656 8.04639 8.86197 14.0828 8.03334 7.81713 6.59025 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 6.58792 6.56225 6.22122 11.3392 6.06566 7.32087 14.0828 10.9639 7.81713 6.46704 numMergedOcc 0
33 mol 181 unq 3 iso 0 dist 6.58792 6.56225 6.22122 13.656 13.0409 8.86197 14.0828 10.9639 7.81713 6.59025 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 8.89211 7.46856 8.50102 12.8476 12.3508 9.8664 12.2002 10.5803 4.9377 9.05071 numMergedOcc 0
35 mol 232 unq 1 iso 0 dist 9.95045 4.95971 9.05071 11.8822 4.9377 9.8664 16.5322 10.5803 12.3508 8.50102 numMergedOcc 0
36 mol 232 unq 2 iso 0 dist 9.95045 4.95971 9.05071 11.8822 4.9377 9.8664 12.5761 8.27212 8.80479 9.40808 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 5.67917 6.32646 8.69104 8.52162 8.1195 5.92374 11.6549 13.9668 5.50308 8.94014 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 5.67917 6.32646 8.69104 8.52162 8.1195 5.92374 12.9109 12.8275 7.11984 7.02333 numMergedOcc 0
39 mol 238 unq 2 iso 0 dist 5.67917 6.32646 8.69104 8.52162 8.1195 5.92374 12.3128 10.7456 7.95232 8.67864 numMergedOcc 0
