0 mol 19 unq 0 iso 0 dist 9.23617 14.4019 6.92532 21.0095 12.3486 7.20519 14.2971 5.18512 4.54938 7.34551 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 9.23617 14.4019 6.92532 14.2971 5.18512 4.54938 21.0095 12.3486 7.20519 7.34551 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 21.0095 12.3486 7.20519 18.119 9.47529 6.864 7.07775 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 9.23617 14.4019 6.92532 18.119 9.47529 6.864 21.0095 12.3486 7.20519 7.07775 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 14.2971 5.18512 4.54938 18.119 9.47529 6.864 5.80928 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 9.23617 14.4019 6.92532 18.119 9.47529 6.864 14.2971 5.18512 4.54938 5.80928 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 8.59114 14.3476 6.92532 19.776 12.3486 7.20519 12.8189 5.18512 4.54938 7.34551 numMergedOcc 0
7 mol 19 unq 2 iso 1 dist 8.59114 14.3476 6.92532 12.8189 5.18512 4.54938 19.776 12.3486 7.20519 7.34551 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 8.59114 14.3476 6.92532 19.776 12.3486 7.20519 14.4543 9.47529 6.864 7.07775 numMergedOcc 0
9 mol 19 unq 3 iso 1 dist 8.59114 14.3476 6.92532 14.4543 9.47529 6.864 19.776 12.3486 7.20519 7.07775 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 8.59114 14.3476 6.92532 12.8189 5.18512 4.54938 14.4543 9.47529 6.864 5.80928 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 8.59114 14.3476 6.92532 14.4543 9.47529 6.864 12.8189 5.18512 4.54938 5.80928 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 8.63204 6.57145 6.92532 10.7917 12.3486 7.20519 8.18518 5.18512 4.54938 7.34551 numMergedOcc 0
13 mol 19 unq 4 iso 1 dist 8.63204 6.57145 6.92532 8.18518 5.18512 4.54938 10.7917 12.3486 7.20519 7.34551 numMergedOcc 0
14 mol 19 unq 5 iso 0 dist 8.63204 6.57145 6.92532 10.7917 12.3486 7.20519 12.9091 9.47529 6.864 7.07775 numMergedOcc 0
15 mol 19 unq 5 iso 1 dist 8.63204 6.57145 6.92532 12.9091 9.47529 6.864 10.7917 12.3486 7.20519 7.07775 numMergedOcc 0
16 mol 19 unq 5 iso 0 dist 8.63204 6.57145 6.92532 8.18518 5.18512 4.54938 12.9091 9.47529 6.864 5.80928 numMergedOcc 0
17 mol 19 unq 5 iso 1 dist 8.63204 6.57145 6.92532 12.9091 9.47529 6.864 8.18518 5.18512 4.54938 5.80928 numMergedOcc 0
18 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 6.85331 6.00575 6.86014 10.4452 5.97304 8.86116 10.0952 numMergedOcc 0
19 mol 24 unq 0 iso 1 dist 4.61828 9.20254 6.60423 10.4452 5.97304 8.86116 6.85331 6.00575 6.86014 10.0952 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 9.924 3.85308 7.33422 11.7729 6.82174 7.95579 9.8682 7.91778 6.19965 4.26409 numMergedOcc 0
21 mol 85 unq 0 iso 1 dist 9.924 3.85308 7.33422 9.8682 7.91778 6.19965 11.7729 6.82174 7.95579 4.26409 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 9.924 3.85308 7.33422 11.7729 6.82174 7.95579 9.22376 10.121 7.66905 10.7229 numMergedOcc 0
23 mol 85 unq 1 iso 1 dist 9.924 3.85308 7.33422 9.22376 10.121 7.66905 11.7729 6.82174 7.95579 10.7229 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 9.924 3.85308 7.33422 9.8682 7.91778 6.19965 9.22376 10.121 7.66905 6.9948 numMergedOcc 0
25 mol 85 unq 1 iso 1 dist 9.924 3.85308 7.33422 9.22376 10.121 7.66905 9.8682 7.91778 6.19965 6.9948 numMergedOcc 0
26 mol 92 unq 0 iso 0 dist 5.22996 6.09495 6.49956 10.869 6.86728 9.33898 14.4679 12.163 9.64443 13.1316 numMergedOcc 0
27 mol 92 unq 0 iso 1 dist 5.22996 6.09495 6.49956 14.4679 12.163 9.64443 10.869 6.86728 9.33898 13.1316 numMergedOcc 0
28 mol 100 unq 0 iso 0 dist 6.14415 6.89762 7.12017 9.57498 9.52882 6.45675 10.0165 12.6602 7.47343 5.33144 numMergedOcc 0
29 mol 100 unq 0 iso 1 dist 6.14415 6.89762 7.12017 10.0165 12.6602 7.47343 9.57498 9.52882 6.45675 5.33144 numMergedOcc 0
30 mol 100 unq 1 iso 0 dist 6.14415 6.89762 7.12017 9.57498 9.52882 6.45675 15.6218 14.8674 8.86688 9.71151 numMergedOcc 0
31 mol 100 unq 1 iso 1 dist 6.14415 6.89762 7.12017 15.6218 14.8674 8.86688 9.57498 9.52882 6.45675 9.71151 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 6.14415 6.89762 7.12017 10.0165 12.6602 7.47343 15.6218 14.8674 8.86688 10.1407 numMergedOcc 0
33 mol 100 unq 1 iso 1 dist 6.14415 6.89762 7.12017 15.6218 14.8674 8.86688 10.0165 12.6602 7.47343 10.1407 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 8.99731 7.64822 5.72642 7.44784 5.61704 7.30858 12.7842 6.4497 5.83991 10.8507 numMergedOcc 0
35 mol 115 unq 0 iso 1 dist 8.99731 7.64822 5.72642 12.7842 6.4497 5.83991 7.44784 5.61704 7.30858 10.8507 numMergedOcc 0
36 mol 115 unq 1 iso 0 dist 8.99731 7.64822 5.72642 7.44784 5.61704 7.30858 9.56867 7.3094 7.88312 11.5723 numMergedOcc 0
37 mol 115 unq 1 iso 1 dist 8.99731 7.64822 5.72642 9.56867 7.3094 7.88312 7.44784 5.61704 7.30858 11.5723 numMergedOcc 0
38 mol 115 unq 1 iso 0 dist 8.99731 7.64822 5.72642 12.7842 6.4497 5.83991 9.56867 7.3094 7.88312 8.02349 numMergedOcc 0
39 mol 115 unq 1 iso 1 dist 8.99731 7.64822 5.72642 9.56867 7.3094 7.88312 12.7842 6.4497 5.83991 8.02349 numMergedOcc 0
40 mol 152 unq 0 iso 0 dist 9.19078 11.3742 8.28642 13.1463 5.70788 5.87555 13.9298 9.35627 6.70283 5.42328 numMergedOcc 0
41 mol 152 unq 0 iso 1 dist 9.19078 11.3742 8.28642 13.9298 9.35627 6.70283 13.1463 5.70788 5.87555 5.42328 numMergedOcc 0
42 mol 152 unq 1 iso 0 dist 9.19078 11.3742 8.28642 13.1463 5.70788 5.87555 18.3042 11.2078 8.67331 5.54906 numMergedOcc 0
43 mol 152 unq 1 iso 1 dist 9.19078 11.3742 8.28642 18.3042 11.2078 8.67331 13.1463 5.70788 5.87555 5.54906 numMergedOcc 0
44 mol 152 unq 1 iso 0 dist 9.19078 11.3742 8.28642 13.9298 9.35627 6.70283 18.3042 11.2078 8.67331 6.4896 numMergedOcc 0
45 mol 152 unq 1 iso 1 dist 9.19078 11.3742 8.28642 18.3042 11.2078 8.67331 13.9298 9.35627 6.70283 6.4896 numMergedOcc 0
46 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 17.255 11.0628 7.22101 20.5429 12.9587 7.09863 4.39704 numMergedOcc 0
47 mol 227 unq 0 iso 1 dist 9.33735 15.9389 8.38865 20.5429 12.9587 7.09863 17.255 11.0628 7.22101 4.39704 numMergedOcc 0
48 mol 229 unq 0 iso 0 dist 9.3376 12.696 8.92743 14.4018 11.6847 8.22528 15.825 9.62106 7.03423 5.57838 numMergedOcc 0
49 mol 229 unq 0 iso 1 dist 9.3376 12.696 8.92743 15.825 9.62106 7.03423 14.4018 11.6847 8.22528 5.57838 numMergedOcc 0
50 mol 272 unq 0 iso 0 dist 7.11691 5.27123 8.46061 4.78812 8.7909 8.33638 6.62923 4.86504 8.46116 5.40809 numMergedOcc 0
51 mol 272 unq 0 iso 1 dist 7.11691 5.27123 8.46061 6.62923 4.86504 8.46116 4.78812 8.7909 8.33638 5.40809 numMergedOcc 0
