0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 6.91778 9.15528 14.0232 9.67081 8.29174 16.5238 5.8463 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.65806 9.56794 6.05328 6.91778 9.15528 10.1804 9.67081 8.29174 11.9068 5.8463 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99972 12.0193 7.25346 7.78327 13.5229 10.6558 3.54153 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 5.99972 12.0193 10.0658 7.78327 13.5229 13.5227 3.54153 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 5.54419 4.93188 4.33963 8.70827 5.59311 9.75636 8.23075 6.7846 4.21283 12.2271 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 5.54419 4.93188 4.33963 8.70827 5.59311 9.75636 4.7841 8.03955 4.97191 12.6431 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 5.54419 4.93188 4.33963 6.73939 12.176 10.0715 8.23075 6.7846 4.21283 12.2839 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 5.54419 4.93188 4.33963 6.73939 12.176 10.0715 4.7841 8.03955 4.97191 6.22954 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 7.31767 5.81959 7.63409 8.6653 5.64303 6.61233 7.03372 7.23535 6.32857 10.3493 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 6.03987 5.81959 8.4666 8.6653 5.82503 6.61233 7.03372 9.92243 6.32857 10.3493 numMergedOcc 0
10 mol 52 unq 0 iso 0 dist 9.80098 9.66501 4.88603 6.31696 11.6682 12.6605 6.22221 8.88455 7.92666 5.88357 numMergedOcc 0
11 mol 52 unq 1 iso 0 dist 7.34143 9.66501 12.277 6.31696 6.66056 12.6605 6.22221 9.53385 7.92666 5.88357 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.95579 7.33422 6.82174 7.54568 10.2865 6.85215 8.04242 5.76272 9.09756 13.5973 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 6.19965 7.33422 7.91778 7.54568 8.09967 6.85215 8.04242 8.18948 9.09756 13.5973 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 7.66905 7.33422 10.121 7.54568 4.65335 6.85215 8.04242 14.113 9.09756 13.5973 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 9.33898 6.61823 6.08245 8.91313 17.5889 14.4996 8.85601 17.4771 13.129 4.17255 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 9.33898 6.61823 6.08245 8.16392 10.8304 6.90324 8.85601 17.4771 13.129 9.96839 numMergedOcc 0
17 mol 92 unq 2 iso 0 dist 9.33898 6.49956 6.86728 8.91313 17.5889 12.0757 8.85601 17.4771 12.8901 4.17255 numMergedOcc 0
18 mol 92 unq 3 iso 0 dist 9.33898 6.49956 6.86728 8.16392 10.8304 7.64508 8.85601 17.4771 12.8901 9.96839 numMergedOcc 0
19 mol 92 unq 4 iso 0 dist 9.64443 6.61823 7.24315 8.91313 13.3881 14.4996 8.85601 10.2467 13.129 4.17255 numMergedOcc 0
20 mol 92 unq 5 iso 0 dist 9.64443 6.61823 7.24315 8.16392 5.90097 6.90324 8.85601 10.2467 13.129 9.96839 numMergedOcc 0
21 mol 92 unq 6 iso 0 dist 9.64443 6.49956 12.163 8.91313 13.3881 12.0757 8.85601 10.2467 12.8901 4.17255 numMergedOcc 0
22 mol 92 unq 7 iso 0 dist 9.64443 6.49956 12.163 8.16392 5.90097 7.64508 8.85601 10.2467 12.8901 9.96839 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 6.65501 4.4057 11.2092 7.92856 8.29813 8.67903 11.6496 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 6.48948 7.26086 13.4985 6.65501 7.42446 11.2092 7.92856 13.2057 8.67903 11.6496 numMergedOcc 0
25 mol 98 unq 2 iso 0 dist 6.10456 7.26086 6.934 6.65501 9.67482 11.2092 7.92856 12.7473 8.67903 11.6496 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 7.5732 6.34525 11.128 6.84011 7.436 8.51024 9.93438 6.25685 13.7162 5.99273 numMergedOcc 0
27 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.70296 14.2045 10.8127 8.80895 11.6692 9.6795 5.92118 numMergedOcc 0
28 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 9.25558 5.09131 11.2516 8.80895 11.6692 9.6795 10.2176 numMergedOcc 0
29 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.78652 6.48978 15.0801 8.99891 9.14188 7.87644 14.3396 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 8.91301 5.20762 15.0315 8.99891 9.14188 7.87644 12.476 numMergedOcc 0
31 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 7.78652 6.48978 11.5146 8.99891 9.14188 13.5899 14.3396 numMergedOcc 0
32 mol 143 unq 3 iso 0 dist 5.99315 7.63338 12.8872 8.91301 5.20762 13.434 8.99891 9.14188 13.5899 12.476 numMergedOcc 0
33 mol 143 unq 4 iso 0 dist 5.99315 9.03707 7.76364 7.78652 6.48978 8.97873 8.99891 9.14188 9.13604 14.3396 numMergedOcc 0
34 mol 143 unq 5 iso 0 dist 5.99315 9.03707 7.76364 8.91301 5.20762 6.29542 8.99891 9.14188 9.13604 12.476 numMergedOcc 0
35 mol 143 unq 6 iso 0 dist 5.99315 7.25673 9.23795 7.78652 6.48978 6.60479 8.99891 9.14188 12.6218 14.3396 numMergedOcc 0
36 mol 143 unq 7 iso 0 dist 5.99315 7.25673 9.23795 8.91301 5.20762 7.54337 8.99891 9.14188 12.6218 12.476 numMergedOcc 0
37 mol 175 unq 0 iso 0 dist 9.29945 5.4969 12.3408 9.39352 7.27408 8.94702 9.19156 13.8965 6.41193 11.8094 numMergedOcc 0
38 mol 175 unq 1 iso 0 dist 9.29945 6.4318 8.68081 9.39352 7.27408 4.06277 9.19156 13.8965 10.568 11.8094 numMergedOcc 0
39 mol 175 unq 2 iso 0 dist 9.29945 7.35824 12.5754 9.39352 7.27408 10.3786 9.19156 13.8965 14.7729 11.8094 numMergedOcc 0
40 mol 175 unq 3 iso 0 dist 9.29945 9.17364 10.0424 9.39352 7.27408 11.9672 9.19156 13.8965 18.0583 11.8094 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 7.26832 5.60393 5.28092 5.44002 10.3603 8.46033 7.13783 13.3822 12.0319 4.76454 numMergedOcc 0
42 mol 206 unq 0 iso 0 dist 8.02137 8.70977 6.3188 7.75885 12.7604 10.7023 6.23183 8.20841 11.5047 9.36584 numMergedOcc 0
43 mol 206 unq 1 iso 0 dist 9.774 8.70977 9.9412 7.75885 6.45859 10.7023 6.23183 7.83734 11.5047 9.36584 numMergedOcc 0
44 mol 210 unq 0 iso 0 dist 6.18308 5.37446 9.59996 7.10826 5.87279 7.1777 6.85824 4.29623 7.61953 4.73037 numMergedOcc 0
45 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 9.05071 8.80479 13.8622 8.25985 4.04428 6.20756 12.159 numMergedOcc 0
46 mol 232 unq 1 iso 0 dist 8.27212 7.83711 8.25884 9.05071 8.80479 13.8622 9.27788 4.22149 11.7554 8.36223 numMergedOcc 0
47 mol 258 unq 0 iso 0 dist 6.97229 8.15467 11.6066 7.6595 6.7919 6.05037 7.12221 6.24714 8.34189 4.97531 numMergedOcc 0
48 mol 258 unq 1 iso 0 dist 6.97229 8.15467 11.6066 7.6595 6.7919 6.05037 5.4557 4.02333 10.6472 7.26991 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 9.85289 6.20558 5.36428 9.83622 4.24652 8.10746 5.14522 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 7.56915 8.49922 9.27829 9.85289 6.20558 11.9754 9.83622 4.24652 13.2205 5.14522 numMergedOcc 0
51 mol 274 unq 2 iso 0 dist 8.49997 9.56685 12.106 9.85289 11.4459 5.36428 9.83622 7.38951 8.10746 5.14522 numMergedOcc 0
52 mol 274 unq 3 iso 0 dist 8.49997 8.49922 12.9674 9.85289 11.4459 11.9754 9.83622 7.38951 13.2205 5.14522 numMergedOcc 0
