0 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 8.67951 9.01567 12.7806 12.5088 8.91183 13.8334 6.19899 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 8.67951 9.01567 12.7806 15.4457 13.0212 18.65 8.49709 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 12.5088 8.91183 13.8334 6.61696 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 7.95042 5.69214 4.47891 5.80953 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 8.86116 6.72502 6.58998 14.012 9.41441 11.5841 18.188 9.88364 15.6528 9.85784 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 8.86116 6.72502 6.58998 14.012 9.41441 11.5841 18.4146 9.78753 14.556 9.87996 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 12.5088 14.8647 13.8334 6.61696 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 7.95042 5.11636 4.47891 5.80953 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 8.86116 6.60423 5.97304 10.971 8.44664 11.9865 12.3058 4.79736 7.56164 9.98592 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 8.86116 6.60423 5.97304 13.4893 9.44691 14.4545 17.9275 14.4081 17.774 9.586 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 5.68215 10.1698 8.10397 6.61696 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 10.9113 13.6174 9.57743 5.80953 numMergedOcc 0
12 mol 24 unq 12 iso 0 dist 5.54419 4.93188 4.33963 13.1779 8.23446 9.32328 9.16003 5.73029 9.28546 9.33304 numMergedOcc 0
13 mol 24 unq 13 iso 0 dist 5.54419 4.93188 4.33963 13.1779 8.23446 9.32328 10.4135 6.28159 7.55689 4.5711 numMergedOcc 0
14 mol 24 unq 14 iso 0 dist 5.54419 4.93188 4.33963 13.1779 8.23446 9.32328 9.33482 5.50396 5.11135 4.44526 numMergedOcc 0
15 mol 24 unq 15 iso 0 dist 5.54419 4.93188 4.33963 10.8238 8.75662 8.16324 9.33482 5.50396 5.11135 9.586 numMergedOcc 0
16 mol 24 unq 16 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 17.003 10.1698 8.10397 6.61696 numMergedOcc 0
17 mol 24 unq 17 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 16.707 13.6174 9.57743 5.80953 numMergedOcc 0
18 mol 24 unq 18 iso 0 dist 7.36323 9.24958 4.33963 6.38336 8.23446 9.32328 10.502 5.73029 9.28546 9.33304 numMergedOcc 0
19 mol 24 unq 19 iso 0 dist 7.36323 9.24958 4.33963 6.38336 8.23446 9.32328 8.87744 6.28159 7.55689 4.5711 numMergedOcc 0
20 mol 24 unq 20 iso 0 dist 7.36323 9.24958 4.33963 6.38336 8.23446 9.32328 7.27472 5.50396 5.11135 4.44526 numMergedOcc 0
21 mol 24 unq 21 iso 0 dist 7.36323 9.24958 4.33963 6.7828 8.75662 8.16324 7.27472 5.50396 5.11135 9.586 numMergedOcc 0
22 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 5.77929 8.87757 11.4352 6.55597 4.69295 8.89681 9.16515 numMergedOcc 0
23 mol 25 unq 1 iso 0 dist 5.04899 6.6492 9.20601 5.77929 8.87757 11.4352 7.07751 8.79309 5.5511 9.82987 numMergedOcc 0
24 mol 25 unq 2 iso 0 dist 5.04899 6.6492 9.20601 5.77929 8.87757 11.4352 11.008 14.9206 11.3041 9.40732 numMergedOcc 0
25 mol 25 unq 3 iso 0 dist 5.04899 6.6492 9.20601 5.77929 8.87757 11.4352 9.49421 13.6145 11.7199 6.53269 numMergedOcc 0
26 mol 25 unq 4 iso 0 dist 7.57578 6.90155 9.36158 6.08585 8.50222 12.7162 11.037 13.2447 15.8509 9.16515 numMergedOcc 0
27 mol 25 unq 5 iso 0 dist 7.57578 6.90155 9.36158 6.08585 8.50222 12.7162 13.0315 11.8139 17.5734 9.82987 numMergedOcc 0
28 mol 25 unq 6 iso 0 dist 7.57578 6.90155 9.36158 6.08585 8.50222 12.7162 11.971 6.28979 15.358 9.40732 numMergedOcc 0
29 mol 25 unq 7 iso 0 dist 7.57578 6.90155 9.36158 6.08585 8.50222 12.7162 9.48085 5.18617 13.7717 6.53269 numMergedOcc 0
30 mol 25 unq 8 iso 0 dist 7.17969 6.90155 10.1525 6.08585 7.55264 12.7162 11.037 14.9982 15.8509 9.16515 numMergedOcc 0
31 mol 25 unq 9 iso 0 dist 7.17969 6.90155 10.1525 6.08585 7.55264 12.7162 13.0315 14.1251 17.5734 9.82987 numMergedOcc 0
32 mol 25 unq 10 iso 0 dist 7.17969 6.90155 10.1525 6.08585 7.55264 12.7162 11.971 8.41421 15.358 9.40732 numMergedOcc 0
33 mol 25 unq 11 iso 0 dist 7.17969 6.90155 10.1525 6.08585 7.55264 12.7162 9.48085 5.68041 13.7717 6.53269 numMergedOcc 0
34 mol 25 unq 12 iso 0 dist 6.03987 5.81959 8.4666 5.68392 6.85556 11.3646 7.6114 5.86705 11.4877 6.29797 numMergedOcc 0
35 mol 73 unq 0 iso 0 dist 9.96396 7.04044 8.26458 5.11416 9.24757 6.48232 12.2276 6.20232 10.9746 8.96616 numMergedOcc 0
36 mol 73 unq 1 iso 0 dist 9.96396 7.04044 8.26458 5.11416 9.24757 6.48232 9.73086 5.70116 7.8972 6.14542 numMergedOcc 0
37 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 6.56633 9.24757 6.48232 8.68662 6.20232 10.9746 8.96616 numMergedOcc 0
38 mol 73 unq 3 iso 0 dist 6.19304 8.73253 8.26458 6.56633 9.24757 6.48232 7.4369 5.70116 7.8972 6.14542 numMergedOcc 0
39 mol 73 unq 4 iso 0 dist 8.70481 8.85586 14.8866 15.3808 9.24757 17.0441 13.8931 6.20232 18.7493 8.96616 numMergedOcc 0
40 mol 73 unq 5 iso 0 dist 8.70481 8.85586 14.8866 15.3808 9.24757 17.0441 12.8207 5.70116 16.4689 6.14542 numMergedOcc 0
41 mol 73 unq 6 iso 0 dist 8.70481 7.11 8.05119 15.3808 9.24757 10.8937 13.8931 6.20232 10.6503 8.96616 numMergedOcc 0
42 mol 73 unq 7 iso 0 dist 8.70481 7.11 8.05119 15.3808 9.24757 10.8937 12.8207 5.70116 8.54164 6.14542 numMergedOcc 0
43 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 9.29301 9.82915 8.70863 13.3997 11.9064 12.7386 5.05893 numMergedOcc 0
44 mol 85 unq 1 iso 0 dist 7.97049 7.1589 6.37974 9.29301 9.82915 8.70863 14.6517 14.7521 14.1999 5.71866 numMergedOcc 0
45 mol 100 unq 0 iso 0 dist 7.47343 9.00544 14.9392 12.2861 8.30845 20.8516 9.76432 6.23008 16.6083 6.59691 numMergedOcc 0
46 mol 100 unq 1 iso 0 dist 7.47343 7.12017 12.6602 12.2861 8.30845 13.9603 9.76432 6.23008 11.1445 6.59691 numMergedOcc 0
47 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 10.5488 7.58957 13.9747 11.7541 6.28232 11.6694 6.34626 numMergedOcc 0
48 mol 134 unq 0 iso 0 dist 6.54501 5.53031 5.35679 5.71679 7.69991 10.0154 11.988 12.847 15.9889 9.0176 numMergedOcc 0
49 mol 134 unq 1 iso 0 dist 8.94367 8.20836 9.4027 4.57832 6.23142 9.30061 7.21868 8.06642 4.935 9.0176 numMergedOcc 0
50 mol 134 unq 2 iso 0 dist 6.49416 5.53031 8.46636 5.71679 6.23142 10.0154 11.988 8.06642 15.9889 9.0176 numMergedOcc 0
51 mol 134 unq 3 iso 0 dist 9.86662 8.20836 5.12325 4.57832 9.94764 9.30061 7.21868 4.00092 4.935 9.0176 numMergedOcc 0
52 mol 204 unq 0 iso 0 dist 8.51516 6.85441 5.74707 5.86489 7.32294 5.91727 7.9133 5.57347 9.54203 9.48625 numMergedOcc 0
53 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 6.35849 7.43071 14.3567 5.23634 5.0317 7.3164 9.18728 numMergedOcc 0
54 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 10.9607 5.41321 12.135 5.23634 5.0317 7.3164 8.91971 numMergedOcc 0
55 mol 227 unq 2 iso 0 dist 8.65997 5.4694 11.0628 10.204 7.43071 14.3567 6.91318 5.0317 7.3164 9.18728 numMergedOcc 0
56 mol 227 unq 3 iso 0 dist 8.65997 5.4694 11.0628 9.72615 5.41321 12.135 6.91318 5.0317 7.3164 8.91971 numMergedOcc 0
57 mol 227 unq 4 iso 0 dist 7.55216 5.87815 10.6244 9.32448 7.43071 11.5062 12.3663 5.0317 15.5062 9.18728 numMergedOcc 0
58 mol 227 unq 5 iso 0 dist 7.55216 5.87815 10.6244 6.48027 5.41321 11.0303 12.3663 5.0317 15.5062 8.91971 numMergedOcc 0
59 mol 227 unq 6 iso 0 dist 7.09863 8.38865 12.9587 6.35849 6.02296 14.3567 5.23634 5.83175 7.3164 9.18728 numMergedOcc 0
60 mol 229 unq 0 iso 0 dist 8.22528 8.92743 11.6847 6.65022 8.66332 13.9637 7.27993 5.70473 6.93188 9.37336 numMergedOcc 0
61 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 4.9377 9.40808 6.57921 6.71524 5.10213 8.03712 9.9183 numMergedOcc 0
62 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 5.29529 8.52587 8.2997 12.8334 16.9539 14.9951 8.60027 numMergedOcc 0
63 mol 274 unq 1 iso 0 dist 7.56915 8.49922 9.27829 5.29529 8.52587 10.4781 12.8334 16.9539 16.7337 8.60027 numMergedOcc 0
