0 mol 1 unq 0 iso 0 dist 9.60596 12.4943 6.09918 9.01148 8.26708 5.92202 17.3259 7.94662 9.00903 14.3332 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.41365 13.4414 6.92532 6.92576 7.48847 10.8007 19.8554 12.3486 7.20519 15.679 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.41365 13.4414 6.92532 6.92576 7.48847 10.8007 13.1233 5.18512 4.54938 9.78944 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 8.41365 13.4414 6.92532 6.92576 7.48847 10.8007 15.2251 9.47529 6.864 9.56313 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 8.41365 13.4414 6.92532 10.5285 6.36455 5.03957 19.8554 12.3486 7.20519 12.1187 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 8.41365 13.4414 6.92532 10.5285 6.36455 5.03957 13.1233 5.18512 4.54938 7.82074 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 8.41365 13.4414 6.92532 10.5285 6.36455 5.03957 15.2251 9.47529 6.864 11.0366 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 8.41365 10.5285 6.36455 6.92576 7.48847 10.6598 13.1233 5.18512 7.82074 9.78944 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 8.41365 10.5285 6.36455 13.4414 6.92532 5.03957 13.1233 5.18512 7.82074 4.54938 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 5.641 7.83786 7.05502 10.6042 6.00575 6.86014 11.573 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 5.78238 9.59761 6.60423 5.641 7.83786 7.05502 9.90845 5.97304 8.86116 10.5273 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 9.41473 6.6796 9.93832 10.2523 8.60739 8.13395 13.3486 9.06158 8.80331 6.20293 numMergedOcc 0
12 mol 43 unq 1 iso 0 dist 9.41473 10.2523 8.60739 6.6796 9.93832 8.13395 12.49 5.64171 5.73819 10.5523 numMergedOcc 0
13 mol 43 unq 2 iso 0 dist 9.41473 10.2523 8.60739 6.6796 9.93832 8.13395 13.3486 9.06158 6.20293 8.80331 numMergedOcc 0
14 mol 43 unq 3 iso 0 dist 9.41473 10.2523 8.60739 6.6796 9.93832 8.13395 17.9394 11.3891 8.93915 14.7803 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 6.59232 6.71593 8.85586 5.72472 5.16364 8.07446 14.6361 14.8866 8.70481 16.0098 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 7.5344 8.25445 8.86329 11.8349 8.71039 5.55373 11.439 5.89022 8.40312 7.12972 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 7.5344 11.8349 8.71039 8.25445 8.86329 5.55373 11.439 5.89022 7.12972 8.40312 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 5.85349 5.73002 6.2319 5.65865 9.31851 7.14831 11.0902 5.82636 8.34702 13.584 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 5.85349 5.73002 6.2319 11.2941 9.97732 6.31306 11.0902 5.82636 8.34702 9.06726 numMergedOcc 0
20 mol 156 unq 2 iso 0 dist 5.85349 11.2941 9.97732 5.65865 9.31851 9.98789 11.0902 5.82636 9.06726 13.584 numMergedOcc 0
21 mol 156 unq 3 iso 0 dist 5.85349 11.2941 9.97732 5.73002 6.2319 6.31306 11.0902 5.82636 9.06726 8.34702 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.51006 10.568 7.20574 11.1286 6.85302 5.74635 16.7935 8.90184 7.54065 8.87694 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 9.51006 11.1286 6.85302 10.568 7.20574 5.74635 16.7935 8.90184 8.87694 7.54065 numMergedOcc 0
24 mol 186 unq 2 iso 0 dist 9.51006 11.1286 6.85302 10.568 7.20574 5.74635 13.2605 4.37002 9.09754 10.7914 numMergedOcc 0
25 mol 186 unq 3 iso 0 dist 9.05979 8.86145 8.64409 7.10544 9.56197 8.04815 12.6312 9.97575 9.09754 15.6447 numMergedOcc 0
26 mol 186 unq 4 iso 0 dist 9.05979 8.86145 8.64409 10.591 7.24795 13.684 12.6312 9.97575 9.09754 16.9992 numMergedOcc 0
27 mol 186 unq 5 iso 0 dist 9.05979 8.86145 8.64409 10.8899 7.60202 7.18269 12.6312 9.97575 9.09754 14.1487 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 5.05201 9.08827 8.38865 5.70988 5.4694 5.22356 13.9401 11.0628 7.22101 8.65997 numMergedOcc 0
29 mol 227 unq 1 iso 0 dist 5.05201 9.08827 8.38865 5.70988 5.4694 5.22356 15.5036 12.9587 7.09863 10.8157 numMergedOcc 0
30 mol 227 unq 2 iso 0 dist 5.05201 5.70988 5.4694 9.08827 8.38865 5.22356 13.9401 11.0628 8.65997 7.22101 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 4.7359 4.74041 8.24186 4.67725 7.56091 8.59858 10.6962 11.7705 8.34494 14.186 numMergedOcc 0
32 mol 234 unq 1 iso 0 dist 4.7359 4.74041 8.24186 4.67725 7.56091 8.59858 5.89084 5.63086 6.56247 9.45579 numMergedOcc 0
33 mol 234 unq 2 iso 0 dist 4.7359 4.74041 8.24186 4.67725 7.56091 8.59858 8.47009 5.6819 9.36357 12.4862 numMergedOcc 0
34 mol 234 unq 3 iso 0 dist 4.7359 4.74041 8.24186 6.16697 7.5366 5.88703 10.6962 11.7705 8.34494 12.9605 numMergedOcc 0
35 mol 234 unq 4 iso 0 dist 4.7359 4.74041 8.24186 6.16697 7.5366 5.88703 5.89084 5.63086 6.56247 9.45496 numMergedOcc 0
36 mol 234 unq 5 iso 0 dist 4.7359 4.74041 8.24186 6.16697 7.5366 5.88703 8.47009 5.6819 9.36357 6.7625 numMergedOcc 0
37 mol 234 unq 6 iso 0 dist 4.7359 6.16697 7.5366 4.67725 7.56091 9.82284 5.89084 5.63086 9.45496 9.45579 numMergedOcc 0
38 mol 234 unq 7 iso 0 dist 4.7359 6.16697 7.5366 4.67725 7.56091 9.82284 8.47009 5.6819 6.7625 12.4862 numMergedOcc 0
39 mol 234 unq 8 iso 0 dist 4.7359 6.16697 7.5366 4.74041 8.24186 5.88703 5.89084 5.63086 9.45496 6.56247 numMergedOcc 0
40 mol 234 unq 9 iso 0 dist 4.7359 6.16697 7.5366 4.74041 8.24186 5.88703 8.47009 5.6819 6.7625 9.36357 numMergedOcc 0
41 mol 248 unq 0 iso 0 dist 8.46518 4.53213 6.17052 6.33032 9.77666 5.55137 8.71859 5.99459 7.69895 7.21521 numMergedOcc 0
42 mol 248 unq 1 iso 0 dist 8.46518 6.33032 9.77666 4.53213 6.17052 5.55137 8.71859 5.99459 7.21521 7.69895 numMergedOcc 0
43 mol 261 unq 0 iso 0 dist 9.62681 11.0719 5.26434 15.7058 8.60026 7.00201 10.5279 6.04016 9.14619 8.45658 numMergedOcc 0
44 mol 261 unq 1 iso 0 dist 9.62681 15.7058 8.60026 11.0719 5.26434 7.00201 10.5279 6.04016 8.45658 9.14619 numMergedOcc 0
45 mol 272 unq 0 iso 0 dist 6.49719 11.8274 9.64269 5.81271 6.88809 6.6954 11.3184 4.86504 9.97651 10.1698 numMergedOcc 0
46 mol 272 unq 1 iso 0 dist 6.49719 11.8274 9.64269 11.2831 8.46061 8.12676 11.3184 4.86504 9.97651 8.46116 numMergedOcc 0
47 mol 272 unq 2 iso 0 dist 6.49719 11.2831 8.46061 11.8274 9.64269 8.12676 14.5221 8.7909 8.33638 13.2494 numMergedOcc 0
48 mol 272 unq 3 iso 0 dist 6.49719 11.2831 8.46061 11.8274 9.64269 8.12676 11.3184 4.86504 8.46116 9.97651 numMergedOcc 0
49 mol 272 unq 4 iso 0 dist 6.49719 11.2831 8.46061 5.81271 6.88809 7.34222 14.5221 8.7909 8.33638 13.168 numMergedOcc 0
50 mol 272 unq 5 iso 0 dist 6.49719 11.2831 8.46061 5.81271 6.88809 7.34222 11.3184 4.86504 8.46116 10.1698 numMergedOcc 0
51 mol 272 unq 6 iso 0 dist 5.7564 11.082 9.64269 5.82123 6.88809 6.6954 9.1118 4.86504 9.97651 10.1698 numMergedOcc 0
52 mol 272 unq 7 iso 0 dist 5.7564 11.082 9.64269 6.72149 8.46061 8.12676 9.1118 4.86504 9.97651 8.46116 numMergedOcc 0
53 mol 272 unq 8 iso 0 dist 5.7564 6.72149 8.46061 11.082 9.64269 8.12676 10.342 8.7909 8.33638 13.2494 numMergedOcc 0
54 mol 272 unq 9 iso 0 dist 5.7564 6.72149 8.46061 11.082 9.64269 8.12676 9.1118 4.86504 8.46116 9.97651 numMergedOcc 0
55 mol 272 unq 10 iso 0 dist 5.7564 6.72149 8.46061 5.82123 6.88809 7.34222 10.342 8.7909 8.33638 13.168 numMergedOcc 0
56 mol 272 unq 11 iso 0 dist 5.7564 6.72149 8.46061 5.82123 6.88809 7.34222 9.1118 4.86504 8.46116 10.1698 numMergedOcc 0
