0 mol 16 unq 0 iso 0 dist 9.56648 5.48395 5.84479 9.8871 6.04677 8.43054 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 9.94799 15.3073 9.23576 11.8162 4.57886 7.26639 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.60995 4.61096 6.80741 10.1246 14.8094 9.2898 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 5.70814 6.8958 6.48625 11.5355 11.1377 6.56212 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 5.58384 5.85228 6.48625 11.9689 11.1377 6.56212 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.93688 4.71849 9.514 10.1309 12.7532 8.3773 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 9.88184 9.24395 9.514 16.6066 12.7532 8.3773 numMergedOcc 0
7 mol 108 unq 0 iso 0 dist 5.52402 4.93762 7.29462 12.4758 11.975 7.93045 numMergedOcc 0
8 mol 108 unq 1 iso 0 dist 7.57593 4.93762 5.4057 12.4758 6.84497 7.93045 numMergedOcc 0
9 mol 108 unq 2 iso 0 dist 6.79804 12.0414 7.29462 17.9435 11.975 7.93045 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 9.79844 11.8455 6.31633 6.67635 6.54844 9.77497 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 9.79844 15.9176 7.21115 13.1362 7.53568 9.89083 numMergedOcc 0
12 mol 109 unq 2 iso 0 dist 7.66832 9.47324 8.21889 13.543 10.4255 6.29161 numMergedOcc 0
13 mol 109 unq 3 iso 0 dist 7.66832 9.47324 8.21889 17.3399 14.5244 7.86666 numMergedOcc 0
14 mol 109 unq 4 iso 0 dist 8.11083 12.7688 8.21889 17.2658 10.4255 6.29161 numMergedOcc 0
15 mol 109 unq 5 iso 0 dist 8.11083 12.7688 8.21889 20.0893 14.5244 7.86666 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 6.81489 10.0087 7.70533 12.4075 6.66127 6.10127 numMergedOcc 0
17 mol 117 unq 1 iso 0 dist 9.33403 13.5681 9.85576 17.3823 12.4378 8.84018 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 9.44788 12.7349 8.53368 9.10803 6.14609 9.77575 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 6.67306 8.8283 9.42766 15.3779 16.57 7.64052 numMergedOcc 0
20 mol 127 unq 0 iso 0 dist 8.88979 6.09267 8.40046 10.6292 12.1959 6.08673 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 8.63018 5.56946 6.29026 8.09774 4.79473 5.51197 numMergedOcc 0
22 mol 129 unq 1 iso 0 dist 8.63018 5.56946 6.29026 11.4776 5.04019 6.69691 numMergedOcc 0
23 mol 129 unq 2 iso 0 dist 8.63018 5.56946 6.29026 14.427 10.1802 8.86944 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 6.09754 4.78067 8.43584 10.867 14.6356 6.49765 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 5.01229 4.67262 4.58599 12.3532 9.45322 8.22569 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.46728 9.23693 5.24313 8.56975 12.4194 9.12776 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 9.91921 4.7157 9.31417 10.5721 13.338 9.72188 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 8.20243 4.7157 5.56719 10.5721 12.046 9.72188 numMergedOcc 0
29 mol 257 unq 0 iso 0 dist 8.43067 5.8531 5.36776 14.2499 11.9011 8.83833 numMergedOcc 0
30 mol 257 unq 1 iso 0 dist 7.6127 5.98419 5.36776 13.1201 11.9011 8.83833 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 5.98006 6.64729 6.77279 13.9131 9.90573 9.07743 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 5.98006 9.79538 9.58006 14.2921 12.7528 9.63573 numMergedOcc 0
33 mol 259 unq 2 iso 0 dist 5.98006 9.79538 9.58006 13.9131 9.90573 7.66153 numMergedOcc 0
34 mol 259 unq 3 iso 0 dist 5.22111 5.41945 7.93997 4.95855 7.06301 5.85442 numMergedOcc 0
35 mol 259 unq 4 iso 0 dist 5.22111 5.41945 7.93997 7.72489 7.80863 6.95511 numMergedOcc 0
36 mol 259 unq 5 iso 0 dist 8.53598 10.2837 7.93997 9.18435 7.06301 5.85442 numMergedOcc 0
37 mol 259 unq 6 iso 0 dist 8.53598 10.2837 7.93997 12.3606 7.80863 6.95511 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 8.26851 4.56913 6.00877 8.97249 15.2854 9.30212 numMergedOcc 0
39 mol 274 unq 1 iso 0 dist 8.26851 4.56913 6.00877 4.97796 5.9397 6.4611 numMergedOcc 0
40 mol 274 unq 2 iso 0 dist 8.14634 4.56913 8.66451 8.97249 16.784 9.30212 numMergedOcc 0
41 mol 274 unq 3 iso 0 dist 8.14634 4.56913 8.66451 4.97796 4.89003 6.4611 numMergedOcc 0
