0 mol 19 unq 0 iso 0 dist 8.41365 13.4414 6.92532 19.8554 12.3486 7.20519 13.1233 5.18512 4.54938 7.34551 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 8.41365 13.4414 6.92532 13.1233 5.18512 4.54938 19.8554 12.3486 7.20519 7.34551 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.41365 13.4414 6.92532 19.8554 12.3486 7.20519 15.2251 9.47529 6.864 7.07775 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 8.41365 13.4414 6.92532 15.2251 9.47529 6.864 19.8554 12.3486 7.20519 7.07775 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.41365 13.4414 6.92532 13.1233 5.18512 4.54938 15.2251 9.47529 6.864 5.80928 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 8.41365 13.4414 6.92532 15.2251 9.47529 6.864 13.1233 5.18512 4.54938 5.80928 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 10.6042 6.00575 6.86014 9.90845 5.97304 8.86116 10.0952 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 5.78238 9.59761 6.60423 9.90845 5.97304 8.86116 10.6042 6.00575 6.86014 10.0952 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.41473 10.2523 8.60739 12.49 5.64171 5.73819 13.3486 9.06158 6.20293 5.06502 numMergedOcc 0
9 mol 43 unq 0 iso 1 dist 9.41473 10.2523 8.60739 13.3486 9.06158 6.20293 12.49 5.64171 5.73819 5.06502 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 9.41473 10.2523 8.60739 12.49 5.64171 5.73819 17.9394 11.3891 8.93915 5.89973 numMergedOcc 0
11 mol 43 unq 1 iso 1 dist 9.41473 10.2523 8.60739 17.9394 11.3891 8.93915 12.49 5.64171 5.73819 5.89973 numMergedOcc 0
12 mol 43 unq 1 iso 0 dist 9.41473 10.2523 8.60739 13.3486 9.06158 6.20293 17.9394 11.3891 8.93915 6.45462 numMergedOcc 0
13 mol 43 unq 1 iso 1 dist 9.41473 10.2523 8.60739 17.9394 11.3891 8.93915 13.3486 9.06158 6.20293 6.45462 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 8.95491 11.9657 6.49956 14.7733 6.86728 9.33898 19.5554 12.163 9.64443 13.1316 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 8.95491 11.9657 6.49956 19.5554 12.163 9.64443 14.7733 6.86728 9.33898 13.1316 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 8.86912 7.46358 5.38091 14.041 10.7023 8.34702 15.9053 9.00862 9.06726 6.31306 numMergedOcc 0
17 mol 156 unq 0 iso 1 dist 8.86912 7.46358 5.38091 15.9053 9.00862 9.06726 14.041 10.7023 8.34702 6.31306 numMergedOcc 0
18 mol 156 unq 1 iso 0 dist 8.86912 7.46358 5.38091 14.041 10.7023 8.34702 15.6718 11.1271 8.33171 6.56229 numMergedOcc 0
19 mol 156 unq 1 iso 1 dist 8.86912 7.46358 5.38091 15.6718 11.1271 8.33171 14.041 10.7023 8.34702 6.56229 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 8.86912 7.46358 5.38091 15.9053 9.00862 9.06726 15.6718 11.1271 8.33171 5.64555 numMergedOcc 0
21 mol 156 unq 1 iso 1 dist 8.86912 7.46358 5.38091 15.6718 11.1271 8.33171 15.9053 9.00862 9.06726 5.64555 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.51006 11.1286 6.85302 16.7935 8.90184 8.87694 13.2605 4.37002 9.09754 9.50685 numMergedOcc 0
23 mol 186 unq 0 iso 1 dist 9.51006 11.1286 6.85302 13.2605 4.37002 9.09754 16.7935 8.90184 8.87694 9.50685 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 9.39664 5.43796 9.98215 12.4816 12.8303 8.87694 10.9329 4.64235 9.09754 9.50685 numMergedOcc 0
25 mol 186 unq 1 iso 1 dist 9.39664 5.43796 9.98215 10.9329 4.64235 9.09754 12.4816 12.8303 8.87694 9.50685 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 6.50846 4.90657 5.45036 9.8711 6.17628 9.23153 12.6756 10.4136 8.24498 10.5449 numMergedOcc 0
27 mol 220 unq 0 iso 1 dist 6.50846 4.90657 5.45036 12.6756 10.4136 8.24498 9.8711 6.17628 9.23153 10.5449 numMergedOcc 0
28 mol 223 unq 0 iso 0 dist 6.82737 4.67731 6.13306 12.0111 6.52273 8.77153 10.6785 7.12885 8.6166 8.51421 numMergedOcc 0
29 mol 223 unq 0 iso 1 dist 6.82737 4.67731 6.13306 10.6785 7.12885 8.6166 12.0111 6.52273 8.77153 8.51421 numMergedOcc 0
30 mol 223 unq 1 iso 0 dist 6.80967 7.19485 6.13306 9.5211 6.52273 8.77153 13.3416 7.12885 8.6166 8.51421 numMergedOcc 0
31 mol 223 unq 1 iso 1 dist 6.80967 7.19485 6.13306 13.3416 7.12885 8.6166 9.5211 6.52273 8.77153 8.51421 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 5.05201 9.08827 8.38865 13.9401 11.0628 7.22101 15.5036 12.9587 7.09863 4.39704 numMergedOcc 0
33 mol 227 unq 0 iso 1 dist 5.05201 9.08827 8.38865 15.5036 12.9587 7.09863 13.9401 11.0628 7.22101 4.39704 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 4.7359 4.74041 8.24186 10.6962 11.7705 8.34494 5.89084 5.63086 6.56247 6.29886 numMergedOcc 0
35 mol 234 unq 0 iso 1 dist 4.7359 4.74041 8.24186 5.89084 5.63086 6.56247 10.6962 11.7705 8.34494 6.29886 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 4.7359 4.74041 8.24186 10.6962 11.7705 8.34494 8.47009 5.6819 9.36357 12.1694 numMergedOcc 0
37 mol 234 unq 1 iso 1 dist 4.7359 4.74041 8.24186 8.47009 5.6819 9.36357 10.6962 11.7705 8.34494 12.1694 numMergedOcc 0
38 mol 234 unq 1 iso 0 dist 4.7359 4.74041 8.24186 5.89084 5.63086 6.56247 8.47009 5.6819 9.36357 7.82322 numMergedOcc 0
39 mol 234 unq 1 iso 1 dist 4.7359 4.74041 8.24186 8.47009 5.6819 9.36357 5.89084 5.63086 6.56247 7.82322 numMergedOcc 0
40 mol 234 unq 2 iso 0 dist 4.7359 6.16697 7.5366 5.89084 5.63086 9.45496 8.47009 5.6819 6.7625 7.82322 numMergedOcc 0
41 mol 234 unq 2 iso 1 dist 4.7359 6.16697 7.5366 8.47009 5.6819 6.7625 5.89084 5.63086 9.45496 7.82322 numMergedOcc 0
42 mol 272 unq 0 iso 0 dist 6.49719 11.2831 8.46061 14.5221 8.7909 8.33638 11.3184 4.86504 8.46116 5.40809 numMergedOcc 0
43 mol 272 unq 0 iso 1 dist 6.49719 11.2831 8.46061 11.3184 4.86504 8.46116 14.5221 8.7909 8.33638 5.40809 numMergedOcc 0
44 mol 272 unq 1 iso 0 dist 5.7564 6.72149 8.46061 10.342 8.7909 8.33638 9.1118 4.86504 8.46116 5.40809 numMergedOcc 0
45 mol 272 unq 1 iso 1 dist 5.7564 6.72149 8.46061 9.1118 4.86504 8.46116 10.342 8.7909 8.33638 5.40809 numMergedOcc 0
