0 mol 25 unq 0 iso 0 dist 7.31767 6.03987 4.51512 5.81959 7.63409 8.4666 7.03372 7.23535 9.92243 6.32857 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 6.03987 7.31767 4.51512 5.81959 8.4666 7.63409 7.03372 9.92243 7.23535 6.32857 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 9.80098 7.34143 9.162 9.66501 4.88603 12.277 6.22221 8.88455 9.53385 7.92666 numMergedOcc 0
3 mol 52 unq 0 iso 1 dist 7.34143 9.80098 9.162 9.66501 12.277 4.88603 6.22221 9.53385 8.88455 7.92666 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.33422 6.82174 7.91778 8.04242 5.76272 8.18948 9.09756 numMergedOcc 0
5 mol 85 unq 0 iso 1 dist 6.19965 7.95579 4.26409 7.33422 7.91778 6.82174 8.04242 8.18948 5.76272 9.09756 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 7.33422 6.82174 10.121 8.04242 5.76272 14.113 9.09756 numMergedOcc 0
7 mol 85 unq 1 iso 1 dist 7.66905 7.95579 10.7229 7.33422 10.121 6.82174 8.04242 14.113 5.76272 9.09756 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 7.33422 7.91778 10.121 8.04242 8.18948 14.113 9.09756 numMergedOcc 0
9 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.33422 10.121 7.91778 8.04242 14.113 8.18948 9.09756 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 6.61823 6.08245 7.24315 8.85601 17.4771 10.2467 13.129 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 9.64443 9.33898 13.1316 6.61823 7.24315 6.08245 8.85601 10.2467 17.4771 13.129 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 9.33898 9.64443 13.1316 6.49956 6.86728 12.163 8.85601 17.4771 10.2467 12.8901 numMergedOcc 0
13 mol 92 unq 1 iso 1 dist 9.64443 9.33898 13.1316 6.49956 12.163 6.86728 8.85601 10.2467 17.4771 12.8901 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 7.26086 7.32662 13.4985 7.92856 8.29813 13.2057 8.67903 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 6.48948 5.08437 9.51923 7.26086 13.4985 7.32662 7.92856 13.2057 8.29813 8.67903 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 7.26086 7.32662 6.934 7.92856 8.29813 12.7473 8.67903 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 6.10456 5.08437 8.40073 7.26086 6.934 7.32662 7.92856 12.7473 8.29813 8.67903 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 6.48948 6.10456 9.42358 7.26086 13.4985 6.934 7.92856 13.2057 12.7473 8.67903 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 6.10456 6.48948 9.42358 7.26086 6.934 13.4985 7.92856 12.7473 13.2057 8.67903 numMergedOcc 0
20 mol 120 unq 0 iso 0 dist 8.75408 6.44653 5.23036 8.93905 7.27181 10.5192 6.42623 5.6295 3.824 9.23272 numMergedOcc 0
21 mol 120 unq 0 iso 1 dist 6.44653 8.75408 5.23036 8.93905 10.5192 7.27181 6.42623 3.824 5.6295 9.23272 numMergedOcc 0
22 mol 120 unq 1 iso 0 dist 8.75408 6.44653 5.23036 8.93905 7.27181 10.5192 8.95899 8.97962 4.96885 14.3708 numMergedOcc 0
23 mol 120 unq 1 iso 1 dist 6.44653 8.75408 5.23036 8.93905 10.5192 7.27181 8.95899 4.96885 8.97962 14.3708 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 8.35555 5.59336 10.9728 6.79114 4.68615 9.35878 4.78989 numMergedOcc 0
25 mol 152 unq 0 iso 1 dist 8.87437 5.87555 5.49936 8.35555 10.9728 5.59336 6.79114 9.35878 4.68615 4.78989 numMergedOcc 0
26 mol 152 unq 1 iso 0 dist 5.87555 8.87437 5.49936 8.35555 5.59336 10.9728 7.59457 4.73288 4.70284 9.43672 numMergedOcc 0
27 mol 152 unq 1 iso 1 dist 8.87437 5.87555 5.49936 8.35555 10.9728 5.59336 7.59457 4.70284 4.73288 9.43672 numMergedOcc 0
28 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 4.92088 10.1489 8.27339 4.72821 4.69387 3.70233 8.56547 numMergedOcc 0
29 mol 178 unq 0 iso 1 dist 6.43573 6.69288 5.34677 4.92088 8.27339 10.1489 4.72821 3.70233 4.69387 8.56547 numMergedOcc 0
30 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 4.92088 10.1489 9.79302 4.72821 4.69387 7.39705 8.56547 numMergedOcc 0
31 mol 178 unq 1 iso 1 dist 7.17202 6.69288 11.7381 4.92088 9.79302 10.1489 4.72821 7.39705 4.69387 8.56547 numMergedOcc 0
32 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 4.92088 10.1489 8.65097 4.72821 4.69387 9.77268 8.56547 numMergedOcc 0
33 mol 178 unq 2 iso 1 dist 8.81551 6.69288 14.0703 4.92088 8.65097 10.1489 4.72821 9.77268 4.69387 8.56547 numMergedOcc 0
34 mol 178 unq 1 iso 0 dist 6.43573 7.17202 9.89739 4.92088 8.27339 9.79302 4.72821 3.70233 7.39705 8.56547 numMergedOcc 0
35 mol 178 unq 1 iso 1 dist 7.17202 6.43573 9.89739 4.92088 9.79302 8.27339 4.72821 7.39705 3.70233 8.56547 numMergedOcc 0
36 mol 178 unq 2 iso 0 dist 6.43573 8.81551 10.5529 4.92088 8.27339 8.65097 4.72821 3.70233 9.77268 8.56547 numMergedOcc 0
37 mol 178 unq 2 iso 1 dist 8.81551 6.43573 10.5529 4.92088 8.65097 8.27339 4.72821 9.77268 3.70233 8.56547 numMergedOcc 0
38 mol 178 unq 2 iso 0 dist 7.17202 8.81551 5.18005 4.92088 9.79302 8.65097 4.72821 7.39705 9.77268 8.56547 numMergedOcc 0
39 mol 178 unq 2 iso 1 dist 8.81551 7.17202 5.18005 4.92088 8.65097 9.79302 4.72821 9.77268 7.39705 8.56547 numMergedOcc 0
40 mol 206 unq 0 iso 0 dist 8.02137 9.774 10.4 8.70977 6.3188 9.9412 6.23183 8.20841 7.83734 11.5047 numMergedOcc 0
41 mol 206 unq 0 iso 1 dist 9.774 8.02137 10.4 8.70977 9.9412 6.3188 6.23183 7.83734 8.20841 11.5047 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 9.56685 5.90436 12.106 9.83622 4.24652 7.38951 8.10746 numMergedOcc 0
43 mol 274 unq 0 iso 1 dist 8.49997 7.56915 6.33073 9.56685 12.106 5.90436 9.83622 7.38951 4.24652 8.10746 numMergedOcc 0
44 mol 274 unq 1 iso 0 dist 7.56915 8.49997 6.33073 8.49922 9.27829 12.9674 9.83622 4.24652 7.38951 13.2205 numMergedOcc 0
45 mol 274 unq 1 iso 1 dist 8.49997 7.56915 6.33073 8.49922 12.9674 9.27829 9.83622 7.38951 4.24652 13.2205 numMergedOcc 0
