0 mol 14 unq 0 iso 0 dist 9.31271 10.3326 9.04767 13.6817 5.67201 9.7022 13.1379 4.53725 9.58196 5.53425 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 9.31271 10.3326 9.04767 13.1379 4.53725 9.58196 13.6817 5.67201 9.7022 5.53425 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 9.59856 5.32694 7.63133 10.5516 5.74188 8.71745 10.4155 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 6.84569 5.46269 5.46498 10.5516 5.74188 8.71745 9.59856 5.32694 7.63133 10.4155 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.54183 5.65405 8.10861 14.4402 16.3192 9.5589 10.5929 14.2075 6.83299 5.08001 numMergedOcc 0
5 mol 54 unq 0 iso 1 dist 6.54183 5.65405 8.10861 10.5929 14.2075 6.83299 14.4402 16.3192 9.5589 5.08001 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 10.1112 5.4148 9.96396 19.5696 13.3558 8.70481 14.9342 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 8.124 13.4367 6.19304 19.5696 13.3558 8.70481 10.1112 5.4148 9.96396 14.9342 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.16299 10.3774 8.70481 11.0108 14.9342 9.96396 10.9082 13.3558 6.19304 5.4148 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 8.16299 10.3774 8.70481 10.9082 13.3558 6.19304 11.0108 14.9342 9.96396 5.4148 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 8.27015 12.6626 8.70481 20.562 14.9342 9.96396 17.327 13.3558 6.19304 5.4148 numMergedOcc 0
11 mol 73 unq 2 iso 1 dist 8.27015 12.6626 8.70481 17.327 13.3558 6.19304 20.562 14.9342 9.96396 5.4148 numMergedOcc 0
12 mol 75 unq 0 iso 0 dist 8.2147 13.5815 7.79912 13.0332 5.64643 8.56639 18.603 10.4899 8.59017 7.00674 numMergedOcc 0
13 mol 75 unq 0 iso 1 dist 8.2147 13.5815 7.79912 18.603 10.4899 8.59017 13.0332 5.64643 8.56639 7.00674 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 17.1838 10.7229 7.95579 13.2962 6.9948 6.19965 4.26409 numMergedOcc 0
15 mol 85 unq 0 iso 1 dist 6.56728 13.5384 7.66905 13.2962 6.9948 6.19965 17.1838 10.7229 7.95579 4.26409 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 15.3021 8.8807 6.65086 18.6091 12.6515 6.56369 7.80879 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 8.92577 12.0555 7.47343 18.6091 12.6515 6.56369 15.3021 8.8807 6.65086 7.80879 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 15.3021 8.8807 6.65086 19.8697 13.887 9.30209 5.38414 numMergedOcc 0
19 mol 100 unq 1 iso 1 dist 8.92577 12.0555 7.47343 19.8697 13.887 9.30209 15.3021 8.8807 6.65086 5.38414 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 18.6091 12.6515 6.56369 19.8697 13.887 9.30209 6.39938 numMergedOcc 0
21 mol 100 unq 1 iso 1 dist 8.92577 12.0555 7.47343 19.8697 13.887 9.30209 18.6091 12.6515 6.56369 6.39938 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 9.56324 16.8752 7.47343 17.1897 8.8807 6.65086 21.2171 12.6515 6.56369 7.80879 numMergedOcc 0
23 mol 100 unq 2 iso 1 dist 9.56324 16.8752 7.47343 21.2171 12.6515 6.56369 17.1897 8.8807 6.65086 7.80879 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 17.1897 8.8807 6.65086 22.2677 13.887 9.30209 5.38414 numMergedOcc 0
25 mol 100 unq 3 iso 1 dist 9.56324 16.8752 7.47343 22.2677 13.887 9.30209 17.1897 8.8807 6.65086 5.38414 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 21.2171 12.6515 6.56369 22.2677 13.887 9.30209 6.39938 numMergedOcc 0
27 mol 100 unq 3 iso 1 dist 9.56324 16.8752 7.47343 22.2677 13.887 9.30209 21.2171 12.6515 6.56369 6.39938 numMergedOcc 0
28 mol 100 unq 4 iso 0 dist 8.96916 5.92158 6.45675 5.70279 5.33144 7.47343 9.71692 9.71151 8.86688 10.1407 numMergedOcc 0
29 mol 100 unq 4 iso 1 dist 8.96916 5.92158 6.45675 9.71692 9.71151 8.86688 5.70279 5.33144 7.47343 10.1407 numMergedOcc 0
30 mol 100 unq 5 iso 0 dist 5.70279 5.92158 7.47343 8.96916 5.33144 6.45675 9.71692 10.1407 8.86688 9.71151 numMergedOcc 0
31 mol 100 unq 5 iso 1 dist 5.70279 5.92158 7.47343 9.71692 10.1407 8.86688 8.96916 5.33144 6.45675 9.71151 numMergedOcc 0
32 mol 109 unq 0 iso 0 dist 7.51061 5.29855 7.34473 11.8872 7 8.58044 10.7963 8.40993 9.97763 6.94915 numMergedOcc 0
33 mol 109 unq 0 iso 1 dist 7.51061 5.29855 7.34473 10.7963 8.40993 9.97763 11.8872 7 8.58044 6.94915 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 7.0318 5.21051 7.90328 11.0698 7.22206 7.83136 10.5123 9.3584 7.0603 7.21564 numMergedOcc 0
35 mol 117 unq 0 iso 1 dist 7.0318 5.21051 7.90328 10.5123 9.3584 7.0603 11.0698 7.22206 7.83136 7.21564 numMergedOcc 0
36 mol 131 unq 0 iso 0 dist 9.33945 12.3624 8.40312 14.2573 5.55373 7.12972 17.4482 10.7062 6.85062 6.63273 numMergedOcc 0
37 mol 131 unq 0 iso 1 dist 9.33945 12.3624 8.40312 17.4482 10.7062 6.85062 14.2573 5.55373 7.12972 6.63273 numMergedOcc 0
38 mol 131 unq 1 iso 0 dist 8.99949 11.3502 6.85062 18.591 10.7062 8.40312 15.0798 6.63273 7.12972 5.55373 numMergedOcc 0
39 mol 131 unq 1 iso 1 dist 8.99949 11.3502 6.85062 15.0798 6.63273 7.12972 18.591 10.7062 8.40312 5.55373 numMergedOcc 0
40 mol 133 unq 0 iso 0 dist 9.79004 10.0277 7.24514 14.9707 6.761 9.91388 16.8376 7.6656 9.52634 6.69554 numMergedOcc 0
41 mol 133 unq 0 iso 1 dist 9.79004 10.0277 7.24514 16.8376 7.6656 9.52634 14.9707 6.761 9.91388 6.69554 numMergedOcc 0
42 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.3933 5.49782 8.94367 5.57904 5.00817 6.49416 8.80819 numMergedOcc 0
43 mol 134 unq 0 iso 1 dist 7.27598 6.50005 6.37586 5.57904 5.00817 6.49416 12.3933 5.49782 8.94367 8.80819 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 5.57904 6.50005 6.49416 12.3933 8.80819 8.94367 7.27598 5.00817 6.37586 5.49782 numMergedOcc 0
45 mol 134 unq 1 iso 1 dist 5.57904 6.50005 6.49416 7.27598 5.00817 6.37586 12.3933 8.80819 8.94367 5.49782 numMergedOcc 0
46 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 10.5719 5.50998 7.73169 15.3413 11.1395 8.96657 5.92693 numMergedOcc 0
47 mol 142 unq 0 iso 1 dist 7.15087 8.68855 9.2313 15.3413 11.1395 8.96657 10.5719 5.50998 7.73169 5.92693 numMergedOcc 0
48 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 7.11647 5.56175 8.94056 13.581 8.38403 9.83699 11.2719 numMergedOcc 0
49 mol 156 unq 0 iso 1 dist 9.19499 5.66289 7.44554 13.581 8.38403 9.83699 7.11647 5.56175 8.94056 11.2719 numMergedOcc 0
50 mol 156 unq 1 iso 0 dist 7.11647 5.66289 8.94056 9.19499 5.56175 7.44554 13.581 11.2719 9.83699 8.38403 numMergedOcc 0
51 mol 156 unq 1 iso 1 dist 7.11647 5.66289 8.94056 13.581 11.2719 9.83699 9.19499 5.56175 7.44554 8.38403 numMergedOcc 0
52 mol 156 unq 2 iso 0 dist 7.98018 4.68187 9.83699 10.0213 8.38403 7.44554 11.8093 11.2719 8.94056 5.56175 numMergedOcc 0
53 mol 156 unq 2 iso 1 dist 7.98018 4.68187 9.83699 11.8093 11.2719 8.94056 10.0213 8.38403 7.44554 5.56175 numMergedOcc 0
54 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 10.3907 8.88798 5.98885 13.7299 12.1628 9.15386 5.16002 numMergedOcc 0
55 mol 181 unq 0 iso 1 dist 8.90247 5.114 9.1374 13.7299 12.1628 9.15386 10.3907 8.88798 5.98885 5.16002 numMergedOcc 0
56 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 12.9169 7.38516 6.03031 17.5925 13.8543 7.80463 8.18714 numMergedOcc 0
57 mol 205 unq 0 iso 1 dist 6.15806 10.6362 7.26832 17.5925 13.8543 7.80463 12.9169 7.38516 6.03031 8.18714 numMergedOcc 0
58 mol 224 unq 0 iso 0 dist 9.73411 5.99647 5.78342 10.1632 5.0744 9.16166 7.75485 5.60236 5.81334 6.91102 numMergedOcc 0
59 mol 224 unq 0 iso 1 dist 9.73411 5.99647 5.78342 7.75485 5.60236 5.81334 10.1632 5.0744 9.16166 6.91102 numMergedOcc 0
60 mol 224 unq 1 iso 0 dist 7.75485 5.99647 5.81334 9.73411 5.60236 5.78342 10.1632 6.91102 9.16166 5.0744 numMergedOcc 0
61 mol 224 unq 1 iso 1 dist 7.75485 5.99647 5.81334 10.1632 6.91102 9.16166 9.73411 5.60236 5.78342 5.0744 numMergedOcc 0
62 mol 224 unq 2 iso 0 dist 7.07564 5.44863 5.78342 12.0295 5.0744 9.16166 9.11052 5.60236 5.81334 6.91102 numMergedOcc 0
63 mol 224 unq 2 iso 1 dist 7.07564 5.44863 5.78342 9.11052 5.60236 5.81334 12.0295 5.0744 9.16166 6.91102 numMergedOcc 0
64 mol 224 unq 3 iso 0 dist 9.11052 5.44863 5.81334 7.07564 5.60236 5.78342 12.0295 6.91102 9.16166 5.0744 numMergedOcc 0
65 mol 224 unq 3 iso 1 dist 9.11052 5.44863 5.81334 12.0295 6.91102 9.16166 7.07564 5.60236 5.78342 5.0744 numMergedOcc 0
66 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 15.2062 6.99063 9.34734 12.0857 5.22356 8.65997 7.60506 numMergedOcc 0
67 mol 227 unq 0 iso 1 dist 9.60159 7.51316 7.22101 12.0857 5.22356 8.65997 15.2062 6.99063 9.34734 7.60506 numMergedOcc 0
68 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 15.2062 6.99063 9.34734 14.9745 10.8658 7.56888 7.43198 numMergedOcc 0
69 mol 227 unq 1 iso 1 dist 9.60159 7.51316 7.22101 14.9745 10.8658 7.56888 15.2062 6.99063 9.34734 7.43198 numMergedOcc 0
70 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 15.2062 6.99063 9.34734 14.7829 12.4689 7.55216 9.51866 numMergedOcc 0
71 mol 227 unq 2 iso 1 dist 9.60159 7.51316 7.22101 14.7829 12.4689 7.55216 15.2062 6.99063 9.34734 9.51866 numMergedOcc 0
72 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 12.0857 5.22356 8.65997 14.9745 10.8658 7.56888 9.70012 numMergedOcc 0
73 mol 227 unq 1 iso 1 dist 9.60159 7.51316 7.22101 14.9745 10.8658 7.56888 12.0857 5.22356 8.65997 9.70012 numMergedOcc 0
74 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 12.0857 5.22356 8.65997 14.7829 12.4689 7.55216 12.9332 numMergedOcc 0
75 mol 227 unq 2 iso 1 dist 9.60159 7.51316 7.22101 14.7829 12.4689 7.55216 12.0857 5.22356 8.65997 12.9332 numMergedOcc 0
76 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 14.9745 10.8658 7.56888 14.7829 12.4689 7.55216 4.48529 numMergedOcc 0
77 mol 227 unq 2 iso 1 dist 9.60159 7.51316 7.22101 14.7829 12.4689 7.55216 14.9745 10.8658 7.56888 4.48529 numMergedOcc 0
78 mol 227 unq 3 iso 0 dist 7.71761 5.841 7.55216 14.1483 9.51866 9.34734 12.9898 12.4689 7.22101 6.99063 numMergedOcc 0
79 mol 227 unq 3 iso 1 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 14.1483 9.51866 9.34734 6.99063 numMergedOcc 0
80 mol 227 unq 4 iso 0 dist 7.71761 5.841 7.55216 14.1483 9.51866 9.34734 14.1659 12.9332 8.65997 7.60506 numMergedOcc 0
81 mol 227 unq 4 iso 1 dist 7.71761 5.841 7.55216 14.1659 12.9332 8.65997 14.1483 9.51866 9.34734 7.60506 numMergedOcc 0
82 mol 227 unq 5 iso 0 dist 7.71761 5.841 7.55216 14.1483 9.51866 9.34734 9.8971 4.48529 7.56888 7.43198 numMergedOcc 0
83 mol 227 unq 5 iso 1 dist 7.71761 5.841 7.55216 9.8971 4.48529 7.56888 14.1483 9.51866 9.34734 7.43198 numMergedOcc 0
84 mol 227 unq 4 iso 0 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 14.1659 12.9332 8.65997 5.22356 numMergedOcc 0
85 mol 227 unq 4 iso 1 dist 7.71761 5.841 7.55216 14.1659 12.9332 8.65997 12.9898 12.4689 7.22101 5.22356 numMergedOcc 0
86 mol 227 unq 5 iso 0 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 9.8971 4.48529 7.56888 10.8658 numMergedOcc 0
87 mol 227 unq 5 iso 1 dist 7.71761 5.841 7.55216 9.8971 4.48529 7.56888 12.9898 12.4689 7.22101 10.8658 numMergedOcc 0
88 mol 227 unq 5 iso 0 dist 7.71761 5.841 7.55216 14.1659 12.9332 8.65997 9.8971 4.48529 7.56888 9.70012 numMergedOcc 0
89 mol 227 unq 5 iso 1 dist 7.71761 5.841 7.55216 9.8971 4.48529 7.56888 14.1659 12.9332 8.65997 9.70012 numMergedOcc 0
90 mol 252 unq 0 iso 0 dist 7.93609 9.76823 8.33025 13.7964 8.41807 9.2288 16.2688 14.9102 7.19638 11.7918 numMergedOcc 0
91 mol 252 unq 0 iso 1 dist 7.93609 9.76823 8.33025 16.2688 14.9102 7.19638 13.7964 8.41807 9.2288 11.7918 numMergedOcc 0
92 mol 261 unq 0 iso 0 dist 9.95681 5.79827 8.02547 10.8774 10.0727 8.43057 9.05762 5.51688 6.05727 4.63549 numMergedOcc 0
93 mol 261 unq 0 iso 1 dist 9.95681 5.79827 8.02547 9.05762 5.51688 6.05727 10.8774 10.0727 8.43057 4.63549 numMergedOcc 0
94 mol 261 unq 1 iso 0 dist 9.05762 5.79827 6.05727 9.95681 5.51688 8.02547 10.8774 4.63549 8.43057 10.0727 numMergedOcc 0
95 mol 261 unq 1 iso 1 dist 9.05762 5.79827 6.05727 10.8774 4.63549 8.43057 9.95681 5.51688 8.02547 10.0727 numMergedOcc 0
