0 mol 7 unq 0 iso 0 dist 7.32392 5.59295 6.44736 14.7455 14.9736 9.99746 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.15434 10.7937 8.72114 8.05125 9.17482 7.11539 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 9.28932 5.2347 7.12365 12.6725 4.43881 9.81761 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 7.53042 5.9029 7.12365 8.18794 4.43881 9.81761 numMergedOcc 0
4 mol 30 unq 2 iso 0 dist 6.83481 5.2347 8.1284 12.6725 9.17153 9.81761 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 9.00902 8.07487 5.73743 12.1293 5.96173 7.12701 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.85841 4.81103 5.78706 7.88143 4.04716 7.67564 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.85841 4.81103 5.78706 6.62952 4.75433 8.60103 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 6.78839 7.22196 5.78706 10.5625 4.04716 7.67564 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 6.78839 7.22196 5.78706 4.3521 4.75433 8.60103 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 7.00285 4.81103 5.59328 7.88143 13.0429 7.67564 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 7.00285 4.81103 5.59328 6.62952 11.5098 8.60103 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 8.02354 7.22196 5.59328 10.5625 13.0429 7.67564 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 8.02354 7.22196 5.59328 4.3521 11.5098 8.60103 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.62648 5.53673 9.23858 10.6187 8.82375 7.89317 numMergedOcc 0
15 mol 125 unq 0 iso 0 dist 6.03557 6.46489 7.73435 16.3389 15.5695 9.94322 numMergedOcc 0
16 mol 125 unq 1 iso 0 dist 6.03557 6.46489 7.73435 8.48363 6.10523 8.35871 numMergedOcc 0
17 mol 125 unq 2 iso 0 dist 6.03557 8.27647 9.3778 16.4433 15.2717 8.74577 numMergedOcc 0
18 mol 125 unq 3 iso 0 dist 6.03557 8.27647 9.3778 16.3389 15.5695 9.7728 numMergedOcc 0
19 mol 125 unq 4 iso 0 dist 6.03557 8.27647 9.3778 8.48363 6.10523 6.75122 numMergedOcc 0
20 mol 125 unq 5 iso 0 dist 7.76202 7.74181 7.47069 14.422 9.71964 8.74577 numMergedOcc 0
21 mol 125 unq 6 iso 0 dist 7.76202 7.74181 7.47069 16.7991 13.3502 9.7728 numMergedOcc 0
22 mol 125 unq 7 iso 0 dist 7.76202 7.74181 7.47069 8.75402 5.87414 6.75122 numMergedOcc 0
23 mol 129 unq 0 iso 0 dist 6.23966 6.47522 6.28565 10.6541 6.13737 6.52844 numMergedOcc 0
24 mol 129 unq 1 iso 0 dist 6.23966 5.85167 7.58957 10.9673 11.462 9.7113 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 9.47675 9.00056 9.97343 14.305 13.0477 5.66405 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 7.13441 8.99392 8.24693 15.3881 12.3639 8.29782 numMergedOcc 0
27 mol 171 unq 1 iso 0 dist 7.13441 5.68701 6.71356 8.42643 5.60928 7.61144 numMergedOcc 0
28 mol 174 unq 0 iso 0 dist 6.04817 10.981 8.87569 9.56869 4.69892 8.39178 numMergedOcc 0
29 mol 174 unq 1 iso 0 dist 6.04817 13.6211 9.87122 9.56869 4.69892 7.54918 numMergedOcc 0
30 mol 209 unq 0 iso 0 dist 6.14896 5.78532 6.85935 8.12326 7.61997 8.64079 numMergedOcc 0
31 mol 209 unq 1 iso 0 dist 6.14896 5.78532 6.85935 12.3462 8.42394 8.76128 numMergedOcc 0
32 mol 209 unq 2 iso 0 dist 9.12289 4.84945 6.85935 7.37014 7.61997 8.64079 numMergedOcc 0
33 mol 209 unq 3 iso 0 dist 9.12289 4.84945 6.85935 11.6012 8.42394 8.76128 numMergedOcc 0
34 mol 212 unq 0 iso 0 dist 9.47932 9.63106 9.74144 10.6552 5.3615 6.80332 numMergedOcc 0
35 mol 212 unq 1 iso 0 dist 9.47932 7.56072 7.15603 10.6552 5.3615 7.64336 numMergedOcc 0
36 mol 229 unq 0 iso 0 dist 8.8557 10.4939 8.66332 15.5069 8.43758 8.70049 numMergedOcc 0
37 mol 229 unq 1 iso 0 dist 8.8557 10.4939 8.66332 12.1364 5.88282 9.55385 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 5.67917 5.11183 7.57812 5.77828 5.65008 9.49129 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 5.67917 6.32646 8.69104 5.77828 5.65008 6.80544 numMergedOcc 0
