0 mol 18 unq 0 iso 0 dist 6.41856 5.03976 5.01478 9.7728 6.30737 9.14029 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.51213 5.03976 7.04695 9.7728 15.8027 9.14029 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 9.89618 6.11881 13.469 8.17454 4.79453 9.69029 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 9.10877 5.77804 5.33106 8.61597 13.6379 11.5028 numMergedOcc 0
4 mol 110 unq 0 iso 0 dist 7.2461 9.58164 10.9266 7.59747 6.79448 4.28852 numMergedOcc 0
5 mol 110 unq 1 iso 0 dist 9.26333 9.58164 7.85178 7.59747 3.80114 4.28852 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 7.42431 9.02541 7.59143 6.33923 6.34994 11.4065 numMergedOcc 0
7 mol 111 unq 1 iso 0 dist 7.42431 9.02541 7.59143 9.9801 8.26306 10.4026 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 9.57352 6.32393 8.69934 9.44 6.54263 5.09579 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 9.57352 6.32393 8.69934 8.47634 3.92558 5.46299 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 9.60425 9.77482 11.3679 5.94465 11.1642 15.4855 numMergedOcc 0
11 mol 117 unq 1 iso 0 dist 9.60425 9.0428 15.2823 5.94465 11.1642 4.18875 numMergedOcc 0
12 mol 146 unq 0 iso 0 dist 8.53451 6.66451 13.71 8.91908 5.34214 14.6538 numMergedOcc 0
13 mol 146 unq 1 iso 0 dist 7.24965 6.66451 9.18212 8.91908 9.58921 14.6538 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 9.23551 7.9061 8.59354 8.94352 12.7148 12.9354 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 9.23551 4.48898 8.54341 8.94352 12.7148 6.60281 numMergedOcc 0
16 mol 147 unq 2 iso 0 dist 7.4653 7.6489 5.08802 5.39386 7.06219 9.9402 numMergedOcc 0
17 mol 147 unq 3 iso 0 dist 7.4653 7.6489 5.08802 5.79819 4.19634 7.97454 numMergedOcc 0
18 mol 147 unq 4 iso 0 dist 7.4653 7.6489 5.08802 6.03024 4.45407 3.547 numMergedOcc 0
19 mol 147 unq 5 iso 0 dist 7.95564 7.6489 8.54445 5.39386 6.04074 9.9402 numMergedOcc 0
20 mol 147 unq 6 iso 0 dist 7.95564 7.6489 8.54445 5.79819 6.24579 7.97454 numMergedOcc 0
21 mol 147 unq 7 iso 0 dist 7.95564 7.6489 8.54445 6.03024 5.06602 3.547 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 9.03632 7.63085 6.63727 6.51748 6.60451 5.30823 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.8508 7.55974 5.85375 7.00382 4.63377 6.54455 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 6.04106 9.70674 6.23291 6.2669 4.30308 3.72865 numMergedOcc 0
25 mol 210 unq 0 iso 0 dist 7.86668 6.94875 11.9386 8.20259 9.97638 5.35359 numMergedOcc 0
