0 mol 4 unq 0 iso 0 dist 5.58487 5.70412 7.35416 11.7097 10.6506 6.42755 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.59455 13.7528 7.35972 8.70899 5.43306 9.93542 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.69752 11.9395 8.00171 16.6617 10.3279 5.95834 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.69752 11.9395 8.00171 12.7806 7.88693 4.2121 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.69752 11.9395 8.00171 9.36461 10.2653 6.72323 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 4.90592 10.0715 6.72323 11.4664 9.92026 5.95834 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 4.90592 10.0715 6.72323 8.78859 6.16544 4.2121 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 4.90592 10.0715 6.72323 14.7684 10.2653 8.00171 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 9.36461 11.9395 6.72323 16.6617 9.92026 5.95834 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 9.36461 11.9395 6.72323 12.7806 6.16544 4.2121 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 9.36461 11.9395 6.72323 9.69752 10.2653 8.00171 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.36156 6.01679 5.82754 13.8134 6.70789 8.03296 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 9.36156 6.01679 5.82754 13.0742 7.2005 8.87742 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 9.36156 11.0747 9.05679 13.8134 6.70789 9.26979 numMergedOcc 0
14 mol 79 unq 3 iso 0 dist 9.36156 11.0747 9.05679 13.0742 7.2005 4.93468 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 8.29345 9.01596 9.91054 11.6284 5.74171 9.60622 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 9.78667 8.69924 9.83945 6.73983 6.33946 6.75376 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 9.78667 8.69924 9.83945 7.64956 12.8394 9.10042 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 8.47026 9.33878 9.83945 8.6387 6.33946 6.75376 numMergedOcc 0
19 mol 141 unq 3 iso 0 dist 8.47026 9.33878 9.83945 11.844 12.8394 9.10042 numMergedOcc 0
20 mol 141 unq 4 iso 0 dist 6.73983 8.69924 6.75376 9.78667 6.33946 9.83945 numMergedOcc 0
21 mol 141 unq 5 iso 0 dist 6.73983 8.69924 6.75376 7.64956 6.59975 9.10042 numMergedOcc 0
22 mol 141 unq 6 iso 0 dist 8.6387 9.33878 6.75376 8.47026 6.33946 9.83945 numMergedOcc 0
23 mol 141 unq 7 iso 0 dist 8.6387 9.33878 6.75376 11.844 6.59975 9.10042 numMergedOcc 0
24 mol 141 unq 8 iso 0 dist 7.64956 8.69924 9.10042 9.78667 12.8394 9.83945 numMergedOcc 0
25 mol 141 unq 9 iso 0 dist 7.64956 8.69924 9.10042 6.73983 6.59975 6.75376 numMergedOcc 0
26 mol 141 unq 10 iso 0 dist 4.46777 5.38571 6.83404 12.165 13.0212 9.10042 numMergedOcc 0
27 mol 141 unq 11 iso 0 dist 4.46777 5.38571 6.83404 10.7655 11.0187 9.75059 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 7.46845 12.4049 8.21184 9.59889 4.40883 5.41575 numMergedOcc 0
29 mol 156 unq 1 iso 0 dist 7.46845 11.7015 5.9976 9.59889 4.40883 6.86566 numMergedOcc 0
30 mol 171 unq 0 iso 0 dist 7.32555 9.8515 7.22518 10.3097 3.98338 7.58499 numMergedOcc 0
31 mol 171 unq 1 iso 0 dist 7.32555 9.54524 5.25109 10.3097 3.98338 8.21618 numMergedOcc 0
32 mol 171 unq 2 iso 0 dist 8.1536 9.18337 5.25109 12.2702 7.9115 7.22518 numMergedOcc 0
33 mol 171 unq 3 iso 0 dist 8.1536 8.83874 8.21618 12.2702 7.9115 7.58499 numMergedOcc 0
34 mol 194 unq 0 iso 0 dist 6.37788 8.43261 6.1886 12.6186 9.4131 6.38324 numMergedOcc 0
35 mol 194 unq 1 iso 0 dist 8.7028 13.8424 6.1886 15.8032 9.4131 6.38324 numMergedOcc 0
36 mol 196 unq 0 iso 0 dist 9.76411 6.02503 9.62455 12.831 15.4429 7.21349 numMergedOcc 0
37 mol 225 unq 0 iso 0 dist 9.23935 8.98957 8.37739 7.77552 4.23863 9.47237 numMergedOcc 0
38 mol 225 unq 1 iso 0 dist 7.77552 8.98957 9.47237 9.23935 4.23863 8.37739 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 8.28466 12.721 9.8664 16.4482 16.4381 9.78181 numMergedOcc 0
40 mol 256 unq 0 iso 0 dist 9.66027 7.29258 4.98734 13.1971 6.48174 6.33496 numMergedOcc 0
41 mol 256 unq 1 iso 0 dist 9.66027 11.299 6.37963 13.1971 6.48174 6.00636 numMergedOcc 0
42 mol 256 unq 2 iso 0 dist 8.89892 4.55079 6.33496 9.48164 6.48174 4.98734 numMergedOcc 0
43 mol 256 unq 3 iso 0 dist 8.89892 7.29918 6.00636 9.48164 6.48174 6.37963 numMergedOcc 0
