0 mol 43 unq 0 iso 0 dist 8.58709 7.67459 8.75469 9.69698 9.74445 8.03754 16.4993 12.8035 10.1053 9.83618 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 7.53564 7.62469 6.44784 5.90113 9.74445 10.0804 14.2386 12.8035 12.9808 9.83618 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.10175 6.29755 12.1689 5.65405 5.59773 9.89662 8.41365 10.352 10.1493 5.02241 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 6.10175 7.4038 11.8364 5.65405 5.59773 11.7963 8.41365 10.352 14.043 5.02241 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 8.592 8.75093 5.53478 9.52181 8.42445 10.8086 16.22 10.453 12.0263 8.71128 numMergedOcc 0
5 mol 126 unq 0 iso 0 dist 9.40608 9.63161 5.18899 5.50061 9.54928 10.2273 10.8729 13.0595 10.6827 7.75534 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 9.5355 7.21779 7.46089 8.68855 7.57458 10.1001 9.15112 5.81429 4.76541 7.15475 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 8.84852 9.27341 7.53439 9.50073 9.10619 8.41774 16.6251 10.5988 10.8622 9.13561 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.39634 8.09309 10.2448 9.72213 9.00898 11.6161 18.4765 13.7622 17.8891 9.52634 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 4.3362 6.89587 5.7733 9.20027 7.31105 12.2813 15.4657 12.3402 16.5954 6.84247 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 4.3362 6.89587 5.7733 9.20027 7.31105 12.2813 8.57161 7.84277 9.44963 6.99002 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 9.06201 8.96263 9.9943 11.9904 9.34636 7.49783 8.39753 5.46434 4.76056 7.06793 numMergedOcc 0
12 mol 224 unq 1 iso 0 dist 9.06201 8.96263 9.9943 11.9904 9.34636 7.49783 12.5544 5.03449 10.7068 6.67585 numMergedOcc 0
13 mol 224 unq 2 iso 0 dist 9.06201 8.96263 9.9943 13.0574 9.79616 11.5265 12.5544 5.03449 10.7068 6.65984 numMergedOcc 0
14 mol 224 unq 3 iso 0 dist 9.06201 7.35677 7.83342 11.9904 9.34636 10.6915 8.39753 5.46434 4.1117 7.06793 numMergedOcc 0
15 mol 224 unq 4 iso 0 dist 9.06201 7.35677 7.83342 11.9904 9.34636 10.6915 12.5544 5.03449 10.7454 6.67585 numMergedOcc 0
16 mol 224 unq 5 iso 0 dist 9.06201 7.35677 7.83342 13.0574 9.79616 13.7347 12.5544 5.03449 10.7454 6.65984 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 7.52696 7.30003 4.81997 8.38435 7.2346 8.69551 10.0749 9.5053 6.81993 7.32211 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 5.96276 9.78704 7.53628 5.55516 5.90381 6.11671 12.1707 10.8128 3.83813 7.50578 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 9.42812 6.40125 10.3278 16.2915 6.90434 16.0291 14.4323 9.14131 12.8778 9.41725 numMergedOcc 0
