0 mol 0 unq 0 iso 0 dist 7.37981 12.7599 9.6994 13.3337 7.15528 7.19817 6.58151 6.26831 6.34883 9.19662 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.37981 13.3337 7.15528 12.7599 9.6994 7.19817 6.58151 6.26831 9.19662 6.34883 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 7.19621 9.95 9.6994 6.83587 7.15528 7.19817 8.69991 6.26831 6.34883 9.19662 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 7.19621 6.83587 7.15528 9.95 9.6994 7.19817 8.69991 6.26831 9.19662 6.34883 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 9.89489 8.38394 6.44287 13.3639 6.72502 6.58998 6.59374 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 9.90845 9.89489 8.38394 9.59761 8.86116 6.44287 13.3639 6.72502 6.59374 6.58998 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 6.48625 6.34264 7.17396 5.30842 9.21998 6.05545 13.5596 8.64015 11.0904 12.9211 numMergedOcc 0
7 mol 59 unq 0 iso 1 dist 6.48625 5.30842 9.21998 6.34264 7.17396 6.05545 13.5596 8.64015 12.9211 11.0904 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 6.85381 12.5148 9.60462 6.38057 7.45389 7.05226 4.26804 8.729 11.0629 5.48848 numMergedOcc 0
9 mol 112 unq 0 iso 1 dist 6.85381 6.38057 7.45389 12.5148 9.60462 7.05226 4.26804 8.729 5.48848 11.0629 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 12.288 7.73169 5.50998 9.05212 9.17106 12.6057 8.38032 numMergedOcc 0
11 mol 142 unq 0 iso 1 dist 7.57458 12.288 7.73169 13.1936 9.2313 5.50998 9.05212 9.17106 8.38032 12.6057 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 7.57458 13.1936 9.2313 14.2067 8.96657 11.1395 9.05212 9.17106 12.6057 8.16815 numMergedOcc 0
13 mol 142 unq 1 iso 1 dist 7.57458 14.2067 8.96657 13.1936 9.2313 11.1395 9.05212 9.17106 8.16815 12.6057 numMergedOcc 0
14 mol 142 unq 1 iso 0 dist 7.57458 12.288 7.73169 14.2067 8.96657 5.92693 9.05212 9.17106 8.38032 8.16815 numMergedOcc 0
15 mol 142 unq 1 iso 1 dist 7.57458 14.2067 8.96657 12.288 7.73169 5.92693 9.05212 9.17106 8.16815 8.38032 numMergedOcc 0
16 mol 178 unq 0 iso 0 dist 8.0974 12.2822 6.69288 12.4338 6.43573 5.34677 5.49143 4.92088 10.1489 8.27339 numMergedOcc 0
17 mol 178 unq 0 iso 1 dist 8.0974 12.4338 6.43573 12.2822 6.69288 5.34677 5.49143 4.92088 8.27339 10.1489 numMergedOcc 0
18 mol 178 unq 1 iso 0 dist 8.0974 12.2822 6.69288 13.9722 7.17202 11.7381 5.49143 4.92088 10.1489 9.79302 numMergedOcc 0
19 mol 178 unq 1 iso 1 dist 8.0974 13.9722 7.17202 12.2822 6.69288 11.7381 5.49143 4.92088 9.79302 10.1489 numMergedOcc 0
20 mol 178 unq 2 iso 0 dist 8.0974 12.2822 6.69288 13.5599 8.81551 14.0703 5.49143 4.92088 10.1489 8.65097 numMergedOcc 0
21 mol 178 unq 2 iso 1 dist 8.0974 13.5599 8.81551 12.2822 6.69288 14.0703 5.49143 4.92088 8.65097 10.1489 numMergedOcc 0
22 mol 178 unq 1 iso 0 dist 8.0974 12.4338 6.43573 13.9722 7.17202 9.89739 5.49143 4.92088 8.27339 9.79302 numMergedOcc 0
23 mol 178 unq 1 iso 1 dist 8.0974 13.9722 7.17202 12.4338 6.43573 9.89739 5.49143 4.92088 9.79302 8.27339 numMergedOcc 0
24 mol 178 unq 2 iso 0 dist 8.0974 12.4338 6.43573 13.5599 8.81551 10.5529 5.49143 4.92088 8.27339 8.65097 numMergedOcc 0
25 mol 178 unq 2 iso 1 dist 8.0974 13.5599 8.81551 12.4338 6.43573 10.5529 5.49143 4.92088 8.65097 8.27339 numMergedOcc 0
26 mol 178 unq 2 iso 0 dist 8.0974 13.9722 7.17202 13.5599 8.81551 5.18005 5.49143 4.92088 9.79302 8.65097 numMergedOcc 0
27 mol 178 unq 2 iso 1 dist 8.0974 13.5599 8.81551 13.9722 7.17202 5.18005 5.49143 4.92088 8.65097 9.79302 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 8.49704 12.4611 9.65138 11.832 7.14453 9.10746 5.20422 6.38157 7.38025 9.35273 numMergedOcc 0
29 mol 214 unq 0 iso 1 dist 8.49704 11.832 7.14453 12.4611 9.65138 9.10746 5.20422 6.38157 9.35273 7.38025 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 8.49704 12.4611 9.65138 10.644 8.85478 4.40923 5.20422 6.38157 7.38025 5.63388 numMergedOcc 0
31 mol 214 unq 1 iso 1 dist 8.49704 10.644 8.85478 12.4611 9.65138 4.40923 5.20422 6.38157 5.63388 7.38025 numMergedOcc 0
32 mol 214 unq 1 iso 0 dist 8.49704 11.832 7.14453 10.644 8.85478 11.3796 5.20422 6.38157 9.35273 5.63388 numMergedOcc 0
33 mol 214 unq 1 iso 1 dist 8.49704 10.644 8.85478 11.832 7.14453 11.3796 5.20422 6.38157 5.63388 9.35273 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 7.31105 14.6296 9.23153 9.52692 8.24498 10.5449 12.6425 5.45036 6.17628 10.4136 numMergedOcc 0
35 mol 220 unq 0 iso 1 dist 7.31105 9.52692 8.24498 14.6296 9.23153 10.5449 12.6425 5.45036 10.4136 6.17628 numMergedOcc 0
36 mol 220 unq 1 iso 0 dist 7.31105 14.6296 9.23153 9.52692 8.24498 10.5449 12.3625 9.97586 14.0253 6.20511 numMergedOcc 0
37 mol 220 unq 1 iso 1 dist 7.31105 9.52692 8.24498 14.6296 9.23153 10.5449 12.3625 9.97586 6.20511 14.0253 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 4.28891 7.54212 6.8425 11.5459 8.48341 6.03524 7.60395 numMergedOcc 0
39 mol 222 unq 0 iso 1 dist 8.7347 4.28891 7.54212 8.81265 6.00706 6.8425 11.5459 8.48341 7.60395 6.03524 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 9.17826 16.2594 9.34734 14.9329 7.22101 6.99063 7.69431 8.03442 10.2525 10.5813 numMergedOcc 0
41 mol 227 unq 0 iso 1 dist 9.17826 14.9329 7.22101 16.2594 9.34734 6.99063 7.69431 8.03442 10.5813 10.2525 numMergedOcc 0
42 mol 227 unq 1 iso 0 dist 9.17826 16.2594 9.34734 13.2783 8.65997 7.60506 7.69431 8.03442 10.2525 7.22396 numMergedOcc 0
43 mol 227 unq 1 iso 1 dist 9.17826 13.2783 8.65997 16.2594 9.34734 7.60506 7.69431 8.03442 7.22396 10.2525 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 9.17826 16.2594 9.34734 10.6504 7.56888 7.43198 7.69431 8.03442 10.2525 6.10296 numMergedOcc 0
45 mol 227 unq 2 iso 1 dist 9.17826 10.6504 7.56888 16.2594 9.34734 7.43198 7.69431 8.03442 6.10296 10.2525 numMergedOcc 0
46 mol 227 unq 3 iso 0 dist 9.17826 16.2594 9.34734 11.4528 7.55216 9.51866 7.69431 8.03442 10.2525 9.69537 numMergedOcc 0
47 mol 227 unq 3 iso 1 dist 9.17826 11.4528 7.55216 16.2594 9.34734 9.51866 7.69431 8.03442 9.69537 10.2525 numMergedOcc 0
48 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 13.2783 8.65997 5.22356 7.69431 8.03442 10.5813 7.22396 numMergedOcc 0
49 mol 227 unq 1 iso 1 dist 9.17826 13.2783 8.65997 14.9329 7.22101 5.22356 7.69431 8.03442 7.22396 10.5813 numMergedOcc 0
50 mol 227 unq 2 iso 0 dist 9.17826 14.9329 7.22101 10.6504 7.56888 10.8658 7.69431 8.03442 10.5813 6.10296 numMergedOcc 0
51 mol 227 unq 2 iso 1 dist 9.17826 10.6504 7.56888 14.9329 7.22101 10.8658 7.69431 8.03442 6.10296 10.5813 numMergedOcc 0
52 mol 227 unq 3 iso 0 dist 9.17826 14.9329 7.22101 11.4528 7.55216 12.4689 7.69431 8.03442 10.5813 9.69537 numMergedOcc 0
53 mol 227 unq 3 iso 1 dist 9.17826 11.4528 7.55216 14.9329 7.22101 12.4689 7.69431 8.03442 9.69537 10.5813 numMergedOcc 0
54 mol 227 unq 2 iso 0 dist 9.17826 13.2783 8.65997 10.6504 7.56888 9.70012 7.69431 8.03442 7.22396 6.10296 numMergedOcc 0
55 mol 227 unq 2 iso 1 dist 9.17826 10.6504 7.56888 13.2783 8.65997 9.70012 7.69431 8.03442 6.10296 7.22396 numMergedOcc 0
56 mol 227 unq 3 iso 0 dist 9.17826 13.2783 8.65997 11.4528 7.55216 12.9332 7.69431 8.03442 7.22396 9.69537 numMergedOcc 0
57 mol 227 unq 3 iso 1 dist 9.17826 11.4528 7.55216 13.2783 8.65997 12.9332 7.69431 8.03442 9.69537 7.22396 numMergedOcc 0
58 mol 227 unq 3 iso 0 dist 9.17826 10.6504 7.56888 11.4528 7.55216 4.48529 7.69431 8.03442 6.10296 9.69537 numMergedOcc 0
59 mol 227 unq 3 iso 1 dist 9.17826 11.4528 7.55216 10.6504 7.56888 4.48529 7.69431 8.03442 9.69537 6.10296 numMergedOcc 0
60 mol 234 unq 0 iso 0 dist 5.00515 5.16023 8.41436 10.2063 8.92474 8.62358 10.3269 9.007 8.16888 5.3211 numMergedOcc 0
61 mol 234 unq 0 iso 1 dist 5.00515 10.2063 8.92474 5.16023 8.41436 8.62358 10.3269 9.007 5.3211 8.16888 numMergedOcc 0
62 mol 252 unq 0 iso 0 dist 9.73021 16.5881 8.33025 12.5855 9.2288 8.41807 7.37634 7.50201 11.056 5.23748 numMergedOcc 0
63 mol 252 unq 0 iso 1 dist 9.73021 12.5855 9.2288 16.5881 8.33025 8.41807 7.37634 7.50201 5.23748 11.056 numMergedOcc 0
64 mol 252 unq 1 iso 0 dist 9.73021 16.5881 8.33025 5.26867 7.19638 14.9102 7.37634 7.50201 11.056 7.63376 numMergedOcc 0
65 mol 252 unq 1 iso 1 dist 9.73021 5.26867 7.19638 16.5881 8.33025 14.9102 7.37634 7.50201 7.63376 11.056 numMergedOcc 0
66 mol 252 unq 1 iso 0 dist 9.73021 12.5855 9.2288 5.26867 7.19638 11.7918 7.37634 7.50201 5.23748 7.63376 numMergedOcc 0
67 mol 252 unq 1 iso 1 dist 9.73021 5.26867 7.19638 12.5855 9.2288 11.7918 7.37634 7.50201 7.63376 5.23748 numMergedOcc 0
68 mol 258 unq 0 iso 0 dist 8.58088 10.221 6.60405 9.22664 6.42289 7.26417 13.2039 9.53063 6.6525 5.27959 numMergedOcc 0
69 mol 258 unq 0 iso 1 dist 8.58088 9.22664 6.42289 10.221 6.60405 7.26417 13.2039 9.53063 5.27959 6.6525 numMergedOcc 0
70 mol 272 unq 0 iso 0 dist 9.1118 11.082 9.97651 6.72149 8.46116 8.12676 16.9167 9.19033 10.26 13.5034 numMergedOcc 0
71 mol 272 unq 0 iso 1 dist 9.1118 6.72149 8.46116 11.082 9.97651 8.12676 16.9167 9.19033 13.5034 10.26 numMergedOcc 0
72 mol 274 unq 0 iso 0 dist 9.696 10.7962 7.56915 5.1874 8.49997 6.33073 16.1684 9.56685 5.90436 12.106 numMergedOcc 0
73 mol 274 unq 0 iso 1 dist 9.696 5.1874 8.49997 10.7962 7.56915 6.33073 16.1684 9.56685 12.106 5.90436 numMergedOcc 0
74 mol 274 unq 1 iso 0 dist 9.696 10.7962 7.56915 5.1874 8.49997 6.33073 16.3319 8.49922 9.27829 12.9674 numMergedOcc 0
75 mol 274 unq 1 iso 1 dist 9.696 5.1874 8.49997 10.7962 7.56915 6.33073 16.3319 8.49922 12.9674 9.27829 numMergedOcc 0
