0 mol 129 unq 0 iso 0 dist 7.28273 7.26955 7.07421 9.054 7.6453 5.06265 11.8027 8.85652 4.79473 6.31483 numMergedOcc 0
1 mol 129 unq 1 iso 0 dist 7.28273 7.26955 7.07421 9.054 7.6453 5.06265 10.0627 9.31543 5.04019 9.82512 numMergedOcc 0
2 mol 132 unq 0 iso 0 dist 5.52837 9.98904 8.15549 4.8602 9.39389 10.8474 4.78213 8.62632 12.032 7.69707 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 8.72732 10.5918 5.12189 8.09812 9.2759 10.8516 5.25744 5.9959 6.95933 4.85121 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 8.72732 5.48547 7.50126 8.09812 9.2759 5.35551 5.25744 5.9959 5.30466 4.85121 numMergedOcc 0
5 mol 223 unq 0 iso 0 dist 9.10041 15.4738 9.29204 10.9692 6.97426 4.73988 10.8541 7.5808 11.3121 9.46802 numMergedOcc 0
6 mol 223 unq 1 iso 0 dist 9.10041 15.4738 9.29204 10.2498 8.87456 8.36102 10.8541 7.5808 11.3121 13.1129 numMergedOcc 0
7 mol 223 unq 2 iso 0 dist 9.10041 14.4135 9.14789 10.9692 6.97426 4.78255 10.8541 7.5808 13.5418 9.46802 numMergedOcc 0
8 mol 223 unq 3 iso 0 dist 9.10041 14.4135 9.14789 10.2498 8.87456 5.43913 10.8541 7.5808 13.5418 13.1129 numMergedOcc 0
9 mol 223 unq 4 iso 0 dist 9.10041 6.59509 7.80764 10.9692 6.97426 12.6805 10.8541 7.5808 7.74459 9.46802 numMergedOcc 0
10 mol 223 unq 5 iso 0 dist 9.10041 6.59509 7.80764 10.2498 8.87456 13.9763 10.8541 7.5808 7.74459 13.1129 numMergedOcc 0
11 mol 223 unq 6 iso 0 dist 9.10041 11.687 5.75896 10.9692 6.97426 10.6184 10.8541 7.5808 4.53638 9.46802 numMergedOcc 0
12 mol 223 unq 7 iso 0 dist 9.10041 11.687 5.75896 10.2498 8.87456 13.8469 10.8541 7.5808 4.53638 13.1129 numMergedOcc 0
13 mol 255 unq 0 iso 0 dist 5.84157 9.69849 9.72048 4.52659 7.57779 9.92518 4.04928 7.58813 9.02405 8.06922 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 8.88518 3.7042 6.08181 14.5913 8.10903 10.8957 9.29502 9.6327 6.49094 8.78474 numMergedOcc 0
15 mol 258 unq 1 iso 0 dist 8.88518 3.7042 6.08181 14.3641 7.25618 11.0025 9.29502 9.6327 6.49094 11.3267 numMergedOcc 0
16 mol 258 unq 2 iso 0 dist 8.88518 13.1596 7.70189 14.5913 8.10903 5.27718 9.29502 9.6327 8.08023 8.78474 numMergedOcc 0
17 mol 258 unq 3 iso 0 dist 8.88518 13.1596 7.70189 14.3641 7.25618 9.46467 9.29502 9.6327 8.08023 11.3267 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 7.07099 14.7313 9.63694 4.19938 6.57444 13.1376 13.8362 8.95841 6.96111 10.6488 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 7.07099 14.7313 9.63694 8.95939 7.9555 14.6225 13.8362 8.95841 6.96111 9.70494 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 7.07099 7.14057 6.58277 4.19938 6.57444 5.91091 13.8362 8.95841 11.8531 10.6488 numMergedOcc 0
21 mol 266 unq 3 iso 0 dist 7.07099 7.14057 6.58277 8.95939 7.9555 3.93133 13.8362 8.95841 11.8531 9.70494 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 9.04355 14.8194 8.0935 5.05806 6.96774 10.4601 8.83056 7.19568 7.23485 3.85958 numMergedOcc 0
23 mol 287 unq 1 iso 0 dist 9.04355 14.8194 8.0935 11.1974 7.14859 8.13485 8.83056 7.19568 7.23485 5.93557 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 9.04355 14.8194 8.0935 5.05806 6.96774 10.4601 8.83056 7.19568 7.23485 3.85958 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 9.04355 14.8194 8.0935 11.1974 7.14859 8.13485 8.83056 7.19568 7.23485 5.93557 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 9.04355 14.8194 8.0935 5.05806 6.96774 10.4601 8.83056 7.19568 7.23485 3.85958 numMergedOcc 0
27 mol 289 unq 1 iso 0 dist 9.04355 14.8194 8.0935 11.1974 7.14859 8.13485 8.83056 7.19568 7.23485 5.93557 numMergedOcc 0
