0 mol 10 unq 0 iso 0 dist 8.09253 6.77258 6.18431 11.5593 6.77807 7.60549 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.45916 11.9824 9.98592 13.4799 8.85286 8.9018 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 6.03151 6.5207 5.43693 8.28528 5.4713 3.57198 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 9.26417 15.1138 6.91169 17.5695 8.39955 5.82742 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.78762 6.39948 8.77077 7.24635 5.45099 3.94039 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 9.78762 6.39948 8.77077 8.05782 8.44765 5.61505 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 9.78762 6.39948 8.77077 12.4827 9.06643 8.43884 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 9.78215 5.28204 7.75314 5.51628 8.49847 4.94367 numMergedOcc 0
8 mol 168 unq 0 iso 0 dist 5.21801 7.27945 9.42807 10.3305 8.21227 7.27069 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 8.09699 9.21862 7.47964 6.65338 9.68512 8.77204 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 9.07247 4.84884 7.58375 6.53883 5.23187 4.12242 numMergedOcc 0
11 mol 193 unq 0 iso 0 dist 8.28942 5.35985 8.15661 3.72752 6.94187 5.96435 numMergedOcc 0
12 mol 194 unq 0 iso 0 dist 9.26885 8.39273 9.32959 5.30387 6.68939 9.87573 numMergedOcc 0
13 mol 194 unq 1 iso 0 dist 9.26885 8.7269 8.64056 5.30387 6.68939 6.97562 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 9.85404 9.96095 8.63279 11.2214 9.75417 5.93733 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 7.18098 5.10109 8.31721 6.20494 7.88986 10.4367 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 7.18098 5.10109 8.31721 8.39697 7.4185 5.27881 numMergedOcc 0
17 mol 205 unq 2 iso 0 dist 9.27084 5.52167 8.31721 13.5779 7.88986 10.4367 numMergedOcc 0
18 mol 205 unq 3 iso 0 dist 9.27084 5.52167 8.31721 3.49733 7.4185 5.27881 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 8.57638 5.71221 8.57119 7.63219 6.17843 3.9534 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 8.57638 5.71221 8.57119 12.4203 8.52772 9.18287 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 8.51427 10.3328 8.43195 9.2281 8.88902 3.98604 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 6.57713 8.83902 7.30592 5.8264 7.98132 12.5391 numMergedOcc 0
23 mol 224 unq 1 iso 0 dist 6.57713 8.83902 7.30592 9.59133 7.99036 13.1055 numMergedOcc 0
24 mol 224 unq 2 iso 0 dist 6.57713 9.82703 9.46687 5.8264 7.98132 9.61316 numMergedOcc 0
25 mol 224 unq 3 iso 0 dist 6.57713 9.82703 9.46687 9.59133 7.99036 8.81276 numMergedOcc 0
26 mol 260 unq 0 iso 0 dist 8.29663 8.78038 9.31888 8.05498 7.49606 7.28821 numMergedOcc 0
