0 mol 2 unq 0 iso 0 dist 6.15195 7.37296 6.80804 9.04604 3.83471 8.66587 numMergedOcc 0
1 mol 2 unq 0 iso 1 dist 7.37296 6.15195 6.80804 9.04604 8.66587 3.83471 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.65131 8.73572 11.8617 5.88852 9.78721 5.65976 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 8.73572 9.65131 11.8617 5.88852 5.65976 9.78721 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 6.04551 6.31161 9.46719 6.78264 5.90067 9.79694 numMergedOcc 0
5 mol 48 unq 0 iso 1 dist 6.31161 6.04551 9.46719 6.78264 9.79694 5.90067 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 6.04551 6.31161 9.46719 8.45484 13.4777 6.73491 numMergedOcc 0
7 mol 48 unq 1 iso 1 dist 6.31161 6.04551 9.46719 8.45484 6.73491 13.4777 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 8.36915 6.01454 8.29103 8.80334 10.7888 13.7656 numMergedOcc 0
9 mol 48 unq 2 iso 1 dist 6.01454 8.36915 8.29103 8.80334 13.7656 10.7888 numMergedOcc 0
10 mol 55 unq 0 iso 0 dist 6.67079 7.14636 5.37162 7.01944 4.11996 5.27768 numMergedOcc 0
11 mol 55 unq 0 iso 1 dist 7.14636 6.67079 5.37162 7.01944 5.27768 4.11996 numMergedOcc 0
12 mol 86 unq 0 iso 0 dist 8.39046 8.39947 11.0575 6.15896 5.04401 10.3237 numMergedOcc 0
13 mol 86 unq 0 iso 1 dist 8.39947 8.39046 11.0575 6.15896 10.3237 5.04401 numMergedOcc 0
14 mol 86 unq 1 iso 0 dist 8.39046 8.39947 11.0575 7.51187 5.83667 5.56425 numMergedOcc 0
15 mol 86 unq 1 iso 1 dist 8.39947 8.39046 11.0575 7.51187 5.56425 5.83667 numMergedOcc 0
16 mol 102 unq 0 iso 0 dist 8.63522 5.43401 3.9342 6.793 7.99081 6.83631 numMergedOcc 0
17 mol 102 unq 0 iso 1 dist 5.43401 8.63522 3.9342 6.793 6.83631 7.99081 numMergedOcc 0
18 mol 105 unq 0 iso 0 dist 8.80388 7.28156 4.41267 9.3724 11.2006 10.9335 numMergedOcc 0
19 mol 105 unq 0 iso 1 dist 7.28156 8.80388 4.41267 9.3724 10.9335 11.2006 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 6.54338 9.39135 4.80422 8.67153 7.89412 5.1247 numMergedOcc 0
21 mol 130 unq 0 iso 1 dist 9.39135 6.54338 4.80422 8.67153 5.1247 7.89412 numMergedOcc 0
22 mol 130 unq 1 iso 0 dist 8.50054 7.47653 5.90718 8.98551 12.8248 7.89412 numMergedOcc 0
23 mol 130 unq 1 iso 1 dist 7.47653 8.50054 5.90718 8.98551 7.89412 12.8248 numMergedOcc 0
24 mol 130 unq 2 iso 0 dist 8.50054 8.97124 8.99904 8.98551 12.8248 5.1247 numMergedOcc 0
25 mol 130 unq 2 iso 1 dist 8.97124 8.50054 8.99904 8.98551 5.1247 12.8248 numMergedOcc 0
26 mol 130 unq 2 iso 0 dist 7.47653 8.97124 4.80422 8.98551 7.89412 5.1247 numMergedOcc 0
27 mol 130 unq 2 iso 1 dist 8.97124 7.47653 4.80422 8.98551 5.1247 7.89412 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 7.96689 4.83134 8.94234 9.17877 13.5727 5.6216 numMergedOcc 0
29 mol 133 unq 0 iso 1 dist 4.83134 7.96689 8.94234 9.17877 5.6216 13.5727 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 8.6609 6.21546 6.77498 7.77669 11.3105 5.2437 numMergedOcc 0
31 mol 175 unq 0 iso 1 dist 6.21546 8.6609 6.77498 7.77669 5.2437 11.3105 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 8.6609 6.03184 12.0951 7.77669 11.3105 7.87691 numMergedOcc 0
33 mol 175 unq 1 iso 1 dist 6.03184 8.6609 12.0951 7.77669 7.87691 11.3105 numMergedOcc 0
34 mol 175 unq 1 iso 0 dist 6.21546 6.03184 7.01839 7.77669 5.2437 7.87691 numMergedOcc 0
35 mol 175 unq 1 iso 1 dist 6.03184 6.21546 7.01839 7.77669 7.87691 5.2437 numMergedOcc 0
36 mol 194 unq 0 iso 0 dist 7.38622 8.82165 4.87816 8.40972 5.45144 10.0346 numMergedOcc 0
37 mol 194 unq 0 iso 1 dist 8.82165 7.38622 4.87816 8.40972 10.0346 5.45144 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 7.57712 7.20255 5.88344 5.00266 7.84277 5.83946 numMergedOcc 0
39 mol 220 unq 0 iso 1 dist 7.20255 7.57712 5.88344 5.00266 5.83946 7.84277 numMergedOcc 0
40 mol 220 unq 1 iso 0 dist 7.57716 8.98362 13.3644 9.49722 12.5157 5.34316 numMergedOcc 0
41 mol 220 unq 1 iso 1 dist 8.98362 7.57716 13.3644 9.49722 5.34316 12.5157 numMergedOcc 0
42 mol 249 unq 0 iso 0 dist 6.18866 9.3807 5.2966 9.02486 4.16447 6.74838 numMergedOcc 0
43 mol 249 unq 0 iso 1 dist 9.3807 6.18866 5.2966 9.02486 6.74838 4.16447 numMergedOcc 0
44 mol 266 unq 0 iso 0 dist 8.61786 8.42706 11.4983 5.45375 4.75686 10.3992 numMergedOcc 0
45 mol 266 unq 0 iso 1 dist 8.42706 8.61786 11.4983 5.45375 10.3992 4.75686 numMergedOcc 0
46 mol 266 unq 1 iso 0 dist 8.61786 8.42706 11.4983 9.9145 10.8282 15.5784 numMergedOcc 0
47 mol 266 unq 1 iso 1 dist 8.42706 8.61786 11.4983 9.9145 15.5784 10.8282 numMergedOcc 0
48 mol 279 unq 0 iso 0 dist 7.319 6.12742 10.8005 5.81721 6.98535 5.4527 numMergedOcc 0
49 mol 279 unq 0 iso 1 dist 6.12742 7.319 10.8005 5.81721 5.4527 6.98535 numMergedOcc 0
50 mol 279 unq 1 iso 0 dist 7.319 9.45886 12.8532 5.81721 6.98535 5.87196 numMergedOcc 0
51 mol 279 unq 1 iso 1 dist 9.45886 7.319 12.8532 5.81721 5.87196 6.98535 numMergedOcc 0
52 mol 279 unq 1 iso 0 dist 6.12742 9.45886 5.48262 5.81721 5.4527 5.87196 numMergedOcc 0
53 mol 279 unq 1 iso 1 dist 9.45886 6.12742 5.48262 5.81721 5.87196 5.4527 numMergedOcc 0
54 mol 284 unq 0 iso 0 dist 9.1882 8.60951 7.36026 8.7448 5.56094 4.93259 numMergedOcc 0
55 mol 284 unq 0 iso 1 dist 8.60951 9.1882 7.36026 8.7448 4.93259 5.56094 numMergedOcc 0
56 mol 294 unq 0 iso 0 dist 8.60441 6.97558 4.46072 8.73893 7.47947 5.08713 numMergedOcc 0
57 mol 294 unq 0 iso 1 dist 6.97558 8.60441 4.46072 8.73893 5.08713 7.47947 numMergedOcc 0
