0 mol 26 unq 0 iso 0 dist 7.46207 7.35595 8.82012 5.63833 6.46104 4.98603 15.3546 13.2136 9.16962 10.177 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 6.68311 13.1473 6.77912 15.1138 9.27838 4.67641 10.1695 5.36766 8.624 11.1896 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 5.70279 11.8754 7.75343 10.838 8.30845 10.0891 11.3277 5.88134 6.58204 7.01812 numMergedOcc 0
3 mol 100 unq 1 iso 0 dist 5.70279 11.8754 7.75343 11.4018 8.76378 4.44538 11.3277 5.88134 6.58204 10.0635 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.84523 5.38332 5.87358 10.8869 7.80523 6.89298 9.45397 4.98336 9.20981 12.2341 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 8.99949 9.45501 6.91348 10.5805 8.70296 9.93183 15.0798 6.63273 8.6243 12.6227 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 8.99949 9.45501 6.91348 8.98062 9.25558 5.90177 15.0798 6.63273 8.6243 11.586 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 5.57904 7.26771 8.6355 12.4426 7.80532 14.1488 12.3933 8.80819 8.79571 10.5252 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 5.57904 7.26771 8.6355 12.4426 7.80532 14.1488 7.27598 5.00817 5.42582 10.7586 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 5.68636 6.79302 7.36102 5.52764 7.92304 5.50045 13.3396 10.7616 7.39644 11.1616 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 9.19499 11.9162 9.36805 5.02458 9.44367 10.143 14.1844 5.76755 8.47155 13.5699 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 9.19499 11.9162 9.36805 5.02458 9.44367 10.143 13.581 8.38403 7.55203 10.3379 numMergedOcc 0
12 mol 156 unq 2 iso 0 dist 9.19499 11.9162 9.36805 15.8724 9.47433 10.0003 14.1844 5.76755 8.47155 6.30021 numMergedOcc 0
13 mol 156 unq 3 iso 0 dist 9.19499 11.9162 9.36805 15.8724 9.47433 10.0003 13.581 8.38403 7.55203 13.0431 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 8.89211 6.12197 7.07392 7.46856 8.50102 10.9886 11.7774 4.96364 9.62952 12.3651 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 5.67917 10.761 9.90142 5.11183 7.57812 10.3147 8.96639 5.40359 5.9216 10.1217 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 5.67917 10.761 9.90142 6.32646 8.69104 15.6823 8.96639 5.40359 5.9216 13.492 numMergedOcc 0
17 mol 240 unq 0 iso 0 dist 9.68888 13.7594 6.15305 5.24149 6.68687 9.66581 13.7335 4.28414 7.03489 10.5594 numMergedOcc 0
