0 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 8.60653 5.99981 7.21717 15.293 13.86 numMergedOcc 0
1 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 8.60653 5.99981 7.21717 13.86 15.293 numMergedOcc 0
2 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 13.2119 6.56633 9.24757 5.11416 15.3808 numMergedOcc 0
3 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 13.2119 6.56633 9.24757 15.3808 5.11416 numMergedOcc 0
4 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 14.1293 15.3808 9.24757 5.11416 6.56633 numMergedOcc 0
5 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 14.1293 15.3808 9.24757 6.56633 5.11416 numMergedOcc 0
6 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 21.4221 15.3808 9.24757 5.11416 6.56633 numMergedOcc 0
7 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 21.4221 15.3808 9.24757 6.56633 5.11416 numMergedOcc 0
8 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 9.51674 4.65335 7.54568 10.2865 8.09967 numMergedOcc 0
9 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 9.51674 4.65335 7.54568 8.09967 10.2865 numMergedOcc 0
10 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 15.5006 12.2861 8.30845 5.80144 10.0456 numMergedOcc 0
11 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 15.5006 12.2861 8.30845 10.0456 5.80144 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 15.3021 8.8807 6.65086 18.6091 12.6515 6.56369 7.80879 20.027 15.5385 8.76378 12.3577 4.97045 numMergedOcc 0
13 mol 100 unq 1 iso 1 dist 8.92577 12.0555 7.47343 18.6091 12.6515 6.56369 15.3021 8.8807 6.65086 7.80879 20.027 15.5385 8.76378 4.97045 12.3577 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 15.3021 8.8807 6.65086 19.8697 13.887 9.30209 5.38414 15.5006 12.2861 8.30845 5.80144 6.70236 numMergedOcc 0
15 mol 100 unq 2 iso 1 dist 8.92577 12.0555 7.47343 19.8697 13.887 9.30209 15.3021 8.8807 6.65086 5.38414 15.5006 12.2861 8.30845 6.70236 5.80144 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 15.3021 8.8807 6.65086 19.8697 13.887 9.30209 5.38414 20.027 15.5385 8.76378 12.3577 10.7791 numMergedOcc 0
17 mol 100 unq 3 iso 1 dist 8.92577 12.0555 7.47343 19.8697 13.887 9.30209 15.3021 8.8807 6.65086 5.38414 20.027 15.5385 8.76378 10.7791 12.3577 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 18.6091 12.6515 6.56369 19.8697 13.887 9.30209 6.39938 15.5006 12.2861 8.30845 10.0456 6.70236 numMergedOcc 0
19 mol 100 unq 2 iso 1 dist 8.92577 12.0555 7.47343 19.8697 13.887 9.30209 18.6091 12.6515 6.56369 6.39938 15.5006 12.2861 8.30845 6.70236 10.0456 numMergedOcc 0
20 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 18.6091 12.6515 6.56369 19.8697 13.887 9.30209 6.39938 20.027 15.5385 8.76378 4.97045 10.7791 numMergedOcc 0
21 mol 100 unq 3 iso 1 dist 8.92577 12.0555 7.47343 19.8697 13.887 9.30209 18.6091 12.6515 6.56369 6.39938 20.027 15.5385 8.76378 10.7791 4.97045 numMergedOcc 0
22 mol 100 unq 4 iso 0 dist 9.56324 16.8752 7.47343 17.1897 8.8807 6.65086 21.2171 12.6515 6.56369 7.80879 21.1917 12.2861 8.30845 5.80144 10.0456 numMergedOcc 0
23 mol 100 unq 4 iso 1 dist 9.56324 16.8752 7.47343 21.2171 12.6515 6.56369 17.1897 8.8807 6.65086 7.80879 21.1917 12.2861 8.30845 10.0456 5.80144 numMergedOcc 0
24 mol 100 unq 5 iso 0 dist 9.56324 16.8752 7.47343 17.1897 8.8807 6.65086 21.2171 12.6515 6.56369 7.80879 24.0706 15.5385 8.76378 12.3577 4.97045 numMergedOcc 0
25 mol 100 unq 5 iso 1 dist 9.56324 16.8752 7.47343 21.2171 12.6515 6.56369 17.1897 8.8807 6.65086 7.80879 24.0706 15.5385 8.76378 4.97045 12.3577 numMergedOcc 0
26 mol 100 unq 6 iso 0 dist 9.56324 16.8752 7.47343 17.1897 8.8807 6.65086 22.2677 13.887 9.30209 5.38414 21.1917 12.2861 8.30845 5.80144 6.70236 numMergedOcc 0
27 mol 100 unq 6 iso 1 dist 9.56324 16.8752 7.47343 22.2677 13.887 9.30209 17.1897 8.8807 6.65086 5.38414 21.1917 12.2861 8.30845 6.70236 5.80144 numMergedOcc 0
28 mol 100 unq 7 iso 0 dist 9.56324 16.8752 7.47343 17.1897 8.8807 6.65086 22.2677 13.887 9.30209 5.38414 24.0706 15.5385 8.76378 12.3577 10.7791 numMergedOcc 0
29 mol 100 unq 7 iso 1 dist 9.56324 16.8752 7.47343 22.2677 13.887 9.30209 17.1897 8.8807 6.65086 5.38414 24.0706 15.5385 8.76378 10.7791 12.3577 numMergedOcc 0
30 mol 100 unq 6 iso 0 dist 9.56324 16.8752 7.47343 21.2171 12.6515 6.56369 22.2677 13.887 9.30209 6.39938 21.1917 12.2861 8.30845 10.0456 6.70236 numMergedOcc 0
31 mol 100 unq 6 iso 1 dist 9.56324 16.8752 7.47343 22.2677 13.887 9.30209 21.2171 12.6515 6.56369 6.39938 21.1917 12.2861 8.30845 6.70236 10.0456 numMergedOcc 0
32 mol 100 unq 7 iso 0 dist 9.56324 16.8752 7.47343 21.2171 12.6515 6.56369 22.2677 13.887 9.30209 6.39938 24.0706 15.5385 8.76378 4.97045 10.7791 numMergedOcc 0
33 mol 100 unq 7 iso 1 dist 9.56324 16.8752 7.47343 22.2677 13.887 9.30209 21.2171 12.6515 6.56369 6.39938 24.0706 15.5385 8.76378 10.7791 4.97045 numMergedOcc 0
34 mol 100 unq 8 iso 0 dist 8.96916 5.92158 6.45675 5.70279 5.33144 7.47343 9.71692 9.71151 8.86688 10.1407 12.1601 7.11701 7.38135 11.2312 7.79768 numMergedOcc 0
35 mol 100 unq 8 iso 1 dist 8.96916 5.92158 6.45675 9.71692 9.71151 8.86688 5.70279 5.33144 7.47343 10.1407 12.1601 7.11701 7.38135 7.79768 11.2312 numMergedOcc 0
36 mol 100 unq 9 iso 0 dist 5.70279 5.92158 7.47343 8.96916 5.33144 6.45675 9.71692 10.1407 8.86688 9.71151 12.1601 11.2312 7.38135 7.11701 7.79768 numMergedOcc 0
37 mol 100 unq 9 iso 1 dist 5.70279 5.92158 7.47343 9.71692 10.1407 8.86688 8.96916 5.33144 6.45675 9.71151 12.1601 11.2312 7.38135 7.79768 7.11701 numMergedOcc 0
38 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 12.7271 7.7567 9.90168 8.23791 13.7237 numMergedOcc 0
39 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 12.7271 7.7567 9.90168 13.7237 8.23791 numMergedOcc 0
40 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 20.1653 13.7237 9.90168 7.7567 8.23791 numMergedOcc 0
41 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 20.1653 13.7237 9.90168 8.23791 7.7567 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 9.95528 5.29786 6.23142 4.57832 5.71679 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 9.95528 5.29786 6.23142 5.71679 4.57832 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 9.95528 5.71679 6.23142 4.57832 5.29786 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 9.95528 5.71679 6.23142 5.29786 4.57832 numMergedOcc 0
46 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 10.6749 5.71511 9.4013 6.13574 5.80008 numMergedOcc 0
47 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 10.6749 5.71511 9.4013 5.80008 6.13574 numMergedOcc 0
48 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 10.6749 6.13574 9.4013 5.71511 5.80008 numMergedOcc 0
49 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 10.6749 6.13574 9.4013 5.80008 5.71511 numMergedOcc 0
50 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 9.82618 5.80008 9.4013 5.71511 6.13574 numMergedOcc 0
51 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 9.82618 5.80008 9.4013 6.13574 5.71511 numMergedOcc 0
52 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 9.99409 8.91338 8.90963 9.81073 9.34211 numMergedOcc 0
53 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 9.99409 8.91338 8.90963 9.34211 9.81073 numMergedOcc 0
54 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 16.5371 12.4957 6.03688 8.15057 6.09749 numMergedOcc 0
55 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 16.5371 12.4957 6.03688 6.09749 8.15057 numMergedOcc 0
56 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 11.9075 6.35849 7.43071 6.00424 10.204 numMergedOcc 0
57 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 11.9075 6.35849 7.43071 10.204 6.00424 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 15.2062 6.99063 9.34734 12.0857 5.22356 8.65997 7.60506 11.7218 10.9607 5.41321 10.7656 9.72615 numMergedOcc 0
59 mol 227 unq 1 iso 1 dist 9.60159 7.51316 7.22101 12.0857 5.22356 8.65997 15.2062 6.99063 9.34734 7.60506 11.7218 10.9607 5.41321 9.72615 10.7656 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 15.2062 6.99063 9.34734 14.9745 10.8658 7.56888 7.43198 11.9075 6.35849 7.43071 6.00424 9.76735 numMergedOcc 0
61 mol 227 unq 2 iso 1 dist 9.60159 7.51316 7.22101 14.9745 10.8658 7.56888 15.2062 6.99063 9.34734 7.43198 11.9075 6.35849 7.43071 9.76735 6.00424 numMergedOcc 0
62 mol 227 unq 3 iso 0 dist 9.60159 7.51316 7.22101 15.2062 6.99063 9.34734 14.9745 10.8658 7.56888 7.43198 11.7218 10.9607 5.41321 10.7656 5.10635 numMergedOcc 0
63 mol 227 unq 3 iso 1 dist 9.60159 7.51316 7.22101 14.9745 10.8658 7.56888 15.2062 6.99063 9.34734 7.43198 11.7218 10.9607 5.41321 5.10635 10.7656 numMergedOcc 0
64 mol 227 unq 4 iso 0 dist 9.60159 7.51316 7.22101 15.2062 6.99063 9.34734 14.7829 12.4689 7.55216 9.51866 11.9075 6.35849 7.43071 6.00424 9.32448 numMergedOcc 0
65 mol 227 unq 4 iso 1 dist 9.60159 7.51316 7.22101 14.7829 12.4689 7.55216 15.2062 6.99063 9.34734 9.51866 11.9075 6.35849 7.43071 9.32448 6.00424 numMergedOcc 0
66 mol 227 unq 5 iso 0 dist 9.60159 7.51316 7.22101 15.2062 6.99063 9.34734 14.7829 12.4689 7.55216 9.51866 11.7218 10.9607 5.41321 10.7656 6.48027 numMergedOcc 0
67 mol 227 unq 5 iso 1 dist 9.60159 7.51316 7.22101 14.7829 12.4689 7.55216 15.2062 6.99063 9.34734 9.51866 11.7218 10.9607 5.41321 6.48027 10.7656 numMergedOcc 0
68 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 12.0857 5.22356 8.65997 14.9745 10.8658 7.56888 9.70012 11.9075 6.35849 7.43071 10.204 9.76735 numMergedOcc 0
69 mol 227 unq 2 iso 1 dist 9.60159 7.51316 7.22101 14.9745 10.8658 7.56888 12.0857 5.22356 8.65997 9.70012 11.9075 6.35849 7.43071 9.76735 10.204 numMergedOcc 0
70 mol 227 unq 3 iso 0 dist 9.60159 7.51316 7.22101 12.0857 5.22356 8.65997 14.9745 10.8658 7.56888 9.70012 11.7218 10.9607 5.41321 9.72615 5.10635 numMergedOcc 0
71 mol 227 unq 3 iso 1 dist 9.60159 7.51316 7.22101 14.9745 10.8658 7.56888 12.0857 5.22356 8.65997 9.70012 11.7218 10.9607 5.41321 5.10635 9.72615 numMergedOcc 0
72 mol 227 unq 4 iso 0 dist 9.60159 7.51316 7.22101 12.0857 5.22356 8.65997 14.7829 12.4689 7.55216 12.9332 11.9075 6.35849 7.43071 10.204 9.32448 numMergedOcc 0
73 mol 227 unq 4 iso 1 dist 9.60159 7.51316 7.22101 14.7829 12.4689 7.55216 12.0857 5.22356 8.65997 12.9332 11.9075 6.35849 7.43071 9.32448 10.204 numMergedOcc 0
74 mol 227 unq 5 iso 0 dist 9.60159 7.51316 7.22101 12.0857 5.22356 8.65997 14.7829 12.4689 7.55216 12.9332 11.7218 10.9607 5.41321 9.72615 6.48027 numMergedOcc 0
75 mol 227 unq 5 iso 1 dist 9.60159 7.51316 7.22101 14.7829 12.4689 7.55216 12.0857 5.22356 8.65997 12.9332 11.7218 10.9607 5.41321 6.48027 9.72615 numMergedOcc 0
76 mol 227 unq 4 iso 0 dist 9.60159 7.51316 7.22101 14.9745 10.8658 7.56888 14.7829 12.4689 7.55216 4.48529 11.9075 6.35849 7.43071 9.76735 9.32448 numMergedOcc 0
77 mol 227 unq 4 iso 1 dist 9.60159 7.51316 7.22101 14.7829 12.4689 7.55216 14.9745 10.8658 7.56888 4.48529 11.9075 6.35849 7.43071 9.32448 9.76735 numMergedOcc 0
78 mol 227 unq 5 iso 0 dist 9.60159 7.51316 7.22101 14.9745 10.8658 7.56888 14.7829 12.4689 7.55216 4.48529 11.7218 10.9607 5.41321 5.10635 6.48027 numMergedOcc 0
79 mol 227 unq 5 iso 1 dist 9.60159 7.51316 7.22101 14.7829 12.4689 7.55216 14.9745 10.8658 7.56888 4.48529 11.7218 10.9607 5.41321 6.48027 5.10635 numMergedOcc 0
80 mol 227 unq 6 iso 0 dist 7.71761 5.841 7.55216 14.1483 9.51866 9.34734 12.9898 12.4689 7.22101 6.99063 11.6367 9.32448 7.43071 6.00424 6.35849 numMergedOcc 0
81 mol 227 unq 6 iso 1 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 14.1483 9.51866 9.34734 6.99063 11.6367 9.32448 7.43071 6.35849 6.00424 numMergedOcc 0
82 mol 227 unq 7 iso 0 dist 7.71761 5.841 7.55216 14.1483 9.51866 9.34734 12.9898 12.4689 7.22101 6.99063 6.65275 6.48027 5.41321 10.7656 10.9607 numMergedOcc 0
83 mol 227 unq 7 iso 1 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 14.1483 9.51866 9.34734 6.99063 6.65275 6.48027 5.41321 10.9607 10.7656 numMergedOcc 0
84 mol 227 unq 8 iso 0 dist 7.71761 5.841 7.55216 14.1483 9.51866 9.34734 14.1659 12.9332 8.65997 7.60506 11.6367 9.32448 7.43071 6.00424 10.204 numMergedOcc 0
85 mol 227 unq 8 iso 1 dist 7.71761 5.841 7.55216 14.1659 12.9332 8.65997 14.1483 9.51866 9.34734 7.60506 11.6367 9.32448 7.43071 10.204 6.00424 numMergedOcc 0
86 mol 227 unq 9 iso 0 dist 7.71761 5.841 7.55216 14.1483 9.51866 9.34734 14.1659 12.9332 8.65997 7.60506 6.65275 6.48027 5.41321 10.7656 9.72615 numMergedOcc 0
87 mol 227 unq 9 iso 1 dist 7.71761 5.841 7.55216 14.1659 12.9332 8.65997 14.1483 9.51866 9.34734 7.60506 6.65275 6.48027 5.41321 9.72615 10.7656 numMergedOcc 0
88 mol 227 unq 10 iso 0 dist 7.71761 5.841 7.55216 14.1483 9.51866 9.34734 9.8971 4.48529 7.56888 7.43198 11.6367 9.32448 7.43071 6.00424 9.76735 numMergedOcc 0
89 mol 227 unq 10 iso 1 dist 7.71761 5.841 7.55216 9.8971 4.48529 7.56888 14.1483 9.51866 9.34734 7.43198 11.6367 9.32448 7.43071 9.76735 6.00424 numMergedOcc 0
90 mol 227 unq 11 iso 0 dist 7.71761 5.841 7.55216 14.1483 9.51866 9.34734 9.8971 4.48529 7.56888 7.43198 6.65275 6.48027 5.41321 10.7656 5.10635 numMergedOcc 0
91 mol 227 unq 11 iso 1 dist 7.71761 5.841 7.55216 9.8971 4.48529 7.56888 14.1483 9.51866 9.34734 7.43198 6.65275 6.48027 5.41321 5.10635 10.7656 numMergedOcc 0
92 mol 227 unq 8 iso 0 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 14.1659 12.9332 8.65997 5.22356 11.6367 9.32448 7.43071 6.35849 10.204 numMergedOcc 0
93 mol 227 unq 8 iso 1 dist 7.71761 5.841 7.55216 14.1659 12.9332 8.65997 12.9898 12.4689 7.22101 5.22356 11.6367 9.32448 7.43071 10.204 6.35849 numMergedOcc 0
94 mol 227 unq 9 iso 0 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 14.1659 12.9332 8.65997 5.22356 6.65275 6.48027 5.41321 10.9607 9.72615 numMergedOcc 0
95 mol 227 unq 9 iso 1 dist 7.71761 5.841 7.55216 14.1659 12.9332 8.65997 12.9898 12.4689 7.22101 5.22356 6.65275 6.48027 5.41321 9.72615 10.9607 numMergedOcc 0
96 mol 227 unq 10 iso 0 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 9.8971 4.48529 7.56888 10.8658 11.6367 9.32448 7.43071 6.35849 9.76735 numMergedOcc 0
97 mol 227 unq 10 iso 1 dist 7.71761 5.841 7.55216 9.8971 4.48529 7.56888 12.9898 12.4689 7.22101 10.8658 11.6367 9.32448 7.43071 9.76735 6.35849 numMergedOcc 0
98 mol 227 unq 11 iso 0 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 9.8971 4.48529 7.56888 10.8658 6.65275 6.48027 5.41321 10.9607 5.10635 numMergedOcc 0
99 mol 227 unq 11 iso 1 dist 7.71761 5.841 7.55216 9.8971 4.48529 7.56888 12.9898 12.4689 7.22101 10.8658 6.65275 6.48027 5.41321 5.10635 10.9607 numMergedOcc 0
100 mol 227 unq 10 iso 0 dist 7.71761 5.841 7.55216 14.1659 12.9332 8.65997 9.8971 4.48529 7.56888 9.70012 11.6367 9.32448 7.43071 10.204 9.76735 numMergedOcc 0
101 mol 227 unq 10 iso 1 dist 7.71761 5.841 7.55216 9.8971 4.48529 7.56888 14.1659 12.9332 8.65997 9.70012 11.6367 9.32448 7.43071 9.76735 10.204 numMergedOcc 0
102 mol 227 unq 11 iso 0 dist 7.71761 5.841 7.55216 14.1659 12.9332 8.65997 9.8971 4.48529 7.56888 9.70012 6.65275 6.48027 5.41321 9.72615 5.10635 numMergedOcc 0
103 mol 227 unq 11 iso 1 dist 7.71761 5.841 7.55216 9.8971 4.48529 7.56888 14.1659 12.9332 8.65997 9.70012 6.65275 6.48027 5.41321 5.10635 9.72615 numMergedOcc 0
104 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 12.8946 5.91643 8.43974 8.29908 5.02383 numMergedOcc 0
105 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 12.8946 5.91643 8.43974 5.02383 8.29908 numMergedOcc 0
106 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 12.8946 5.02383 8.43974 5.91643 8.29908 numMergedOcc 0
107 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 12.8946 5.02383 8.43974 8.29908 5.91643 numMergedOcc 0
