0 mol 7 unq 0 iso 0 dist 7.32392 10.5949 6.7985 11.9168 8.43473 6.14469 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.15434 10.7937 8.72114 10.5066 6.34041 6.14469 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.16444 5.86578 7.32257 10.26 8.50424 7.35972 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.20058 13.4836 8.60554 20.0654 14.012 6.72323 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 9.22151 6.63966 8.50222 10.2461 9.34396 6.25843 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 9.22151 6.63966 8.50222 13.6671 10.5328 8.88938 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 6.22122 6.63966 7.55264 10.2461 10.8498 6.25843 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 6.22122 6.63966 7.55264 13.6671 10.4337 8.88938 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 7.46207 5.63833 6.46104 9.17684 7.23703 6.93197 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 9.00902 8.07487 5.73743 15.3154 10.1024 8.66165 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.85841 4.81103 5.78706 6.04768 11.3905 7.14031 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 6.78839 7.22196 5.78706 9.40173 11.3905 7.14031 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 8.05602 11.0132 6.65501 13.251 7.06961 6.88901 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 7.00285 4.81103 5.59328 6.04768 4.67519 7.14031 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 8.02354 7.22196 5.59328 9.40173 4.67519 7.14031 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 8.22596 6.21679 7.80975 12.0939 5.42531 9.5057 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 8.22596 6.21679 7.80975 9.66995 4.86592 5.75014 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 5.70279 10.838 8.30845 19.3411 15.3454 9.5057 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 9.08014 10.3234 8.8822 13.1995 7.27193 6.6317 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 7.85527 7.21894 8.99399 8.05937 7.45148 7.20249 numMergedOcc 0
20 mol 125 unq 0 iso 0 dist 6.03557 6.46489 7.73435 11.3819 9.20086 6.11502 numMergedOcc 0
21 mol 125 unq 1 iso 0 dist 6.03557 8.27647 9.3778 11.3819 9.20086 6.33431 numMergedOcc 0
22 mol 125 unq 2 iso 0 dist 7.76202 7.74181 7.47069 13.4559 9.44075 6.33431 numMergedOcc 0
23 mol 129 unq 0 iso 0 dist 6.23966 6.47522 6.28565 15.008 10.7293 9.73158 numMergedOcc 0
24 mol 129 unq 1 iso 0 dist 6.23966 6.47522 6.28565 11.0726 7.29399 7.59327 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 5.57904 12.4426 7.80532 9.95528 5.71679 6.40575 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 9.47675 9.00056 9.97343 13.5175 9.74444 9.10042 numMergedOcc 0
27 mol 141 unq 1 iso 0 dist 9.47675 9.00056 9.97343 13.8137 6.91919 9.75059 numMergedOcc 0
28 mol 141 unq 2 iso 0 dist 9.47675 9.00056 9.97343 12.3922 10.1432 6.83404 numMergedOcc 0
29 mol 156 unq 0 iso 0 dist 9.19499 5.02458 9.44367 10.6749 5.71511 8.37434 numMergedOcc 0
30 mol 156 unq 1 iso 0 dist 7.11647 5.02458 7.90267 10.6749 6.13574 8.37434 numMergedOcc 0
31 mol 171 unq 0 iso 0 dist 7.13441 8.99392 8.24693 12.2051 8.05069 7.22518 numMergedOcc 0
32 mol 171 unq 1 iso 0 dist 7.13441 8.99392 8.24693 13.7696 12.6853 5.25109 numMergedOcc 0
33 mol 171 unq 2 iso 0 dist 7.13441 5.68701 6.71356 12.2051 8.05069 7.58499 numMergedOcc 0
34 mol 171 unq 3 iso 0 dist 7.13441 5.68701 6.71356 13.7696 12.6853 8.21618 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 8.90247 6.56225 6.2479 11.3392 4.43096 7.32087 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 8.90247 6.56225 6.2479 13.656 8.04639 8.86197 numMergedOcc 0
37 mol 181 unq 2 iso 0 dist 6.58792 6.56225 6.22122 11.3392 6.06566 7.32087 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 6.58792 6.56225 6.22122 13.656 13.0409 8.86197 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 8.89211 7.46856 8.50102 6.71099 6.2188 9.78181 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 8.89211 7.46856 8.50102 12.8476 12.3508 9.8664 numMergedOcc 0
41 mol 232 unq 2 iso 0 dist 9.95045 4.95971 9.05071 11.8822 4.9377 9.8664 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 5.67917 6.32646 8.69104 8.52162 8.1195 5.92374 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 5.82876 4.48276 7.46394 11.3455 11.1602 7.75216 numMergedOcc 0
44 mol 274 unq 1 iso 0 dist 8.71129 4.48276 7.1729 11.3455 5.71192 7.75216 numMergedOcc 0
