0 mol 34 unq 0 iso 0 dist 9.12062 7.66913 10.8394 5.39587 13.3334 9.12176 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.12062 7.66913 10.8394 6.47252 8.73415 9.21138 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.35249 9.46449 9.2388 6.94712 6.10822 3.81228 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.073 8.44761 7.47006 6.09085 6.4113 5.75753 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 9.073 6.81124 4.02051 6.09085 6.4113 5.26311 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 9.2794 6.13606 4.12515 8.63204 11.0976 8.92835 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 9.2794 6.13606 4.12515 5.4014 6.92915 5.07553 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.75708 8.64736 12.7681 7.10218 6.7906 12.669 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.35364 8.4204 10.2414 7.84956 10.5689 12.8132 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 9.35364 8.4204 10.2414 8.57607 17.1595 15.7954 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 9.35364 8.4204 10.2414 6.1991 15.0045 10.4348 numMergedOcc 0
11 mol 95 unq 3 iso 0 dist 9.35364 8.4204 10.2414 5.96246 10.1179 5.88327 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 9.71805 7.74778 4.10762 5.62245 6.28696 4.21859 numMergedOcc 0
13 mol 103 unq 1 iso 0 dist 4.9418 7.74778 5.01332 5.62245 3.86836 4.21859 numMergedOcc 0
14 mol 103 unq 2 iso 0 dist 5.7953 7.74778 7.50501 5.62245 8.52805 4.21859 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 5.32517 9.95168 7.03613 6.78833 5.62774 8.8442 numMergedOcc 0
16 mol 128 unq 1 iso 0 dist 7.6275 9.95168 9.16989 6.78833 4.98024 8.8442 numMergedOcc 0
17 mol 128 unq 2 iso 0 dist 7.4738 9.95168 10.9024 6.78833 6.84628 8.8442 numMergedOcc 0
18 mol 128 unq 3 iso 0 dist 8.88867 9.95168 16.8599 6.78833 8.84157 8.8442 numMergedOcc 0
19 mol 128 unq 4 iso 0 dist 7.04282 9.95168 13.3841 6.78833 4.99095 8.8442 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 8.78 5.08086 5.21047 8.8639 8.60388 5.75739 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 8.78 5.08086 5.21047 7.32009 10.0489 5.46083 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 9.71025 8.85675 10.3128 8.59532 7.4198 14.2356 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 9.19569 8.59976 11.3012 8.89822 7.0638 7.33583 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 9.19569 9.71763 9.12553 8.89822 7.0638 3.95773 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.51189 6.19189 11.2568 6.04336 9.03587 3.78314 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 9.51189 6.19189 11.2568 9.00537 12.4735 4.03697 numMergedOcc 0
27 mol 186 unq 2 iso 0 dist 6.22466 8.34668 5.18732 8.9388 3.6848 4.03697 numMergedOcc 0
28 mol 186 unq 3 iso 0 dist 6.22466 8.76308 12.1022 8.9388 3.6848 14.8715 numMergedOcc 0
29 mol 195 unq 0 iso 0 dist 8.51112 5.0778 4.58275 8.08491 3.58901 5.60628 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 8.95136 6.32542 4.8012 9.71147 11.9786 8.8607 numMergedOcc 0
31 mol 205 unq 1 iso 0 dist 8.95136 6.32542 4.8012 6.32553 10.0544 5.28417 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 5.65943 5.74541 6.06471 8.56943 4.86668 10.2835 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 9.80709 9.94034 10.3374 8.83148 3.78743 10.8084 numMergedOcc 0
