0 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 9.85147 5.99972 12.0193 8.77133 6.06176 6.36911 10.6471 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.41045 7.64353 4.51865 10.4834 8.40416 7.08342 11.8683 6.74265 8.58657 7.02548 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 3.85789 6.73347 9.64444 11.7128 5.33688 6.71911 9.2902 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 14.7042 9.24757 5.11416 12.6465 7.41074 8.70133 7.10439 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.23812 9.59988 6.19304 14.7042 9.24757 6.56633 12.6465 7.41074 4.65521 7.10439 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.67557 9.9705 6.19965 13.5302 7.54568 8.09967 19.1239 11.6116 9.47876 11.8261 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.67557 15.3279 7.66905 13.5302 7.54568 4.65335 19.1239 11.6116 7.22293 11.8261 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 10.6748 8.30845 12.2861 16.7847 10.1589 8.72704 9.44658 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 9.64716 8.76378 15.5385 16.7847 10.1589 8.72704 18.5425 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.1146 11.0256 7.11802 15.0618 9.22232 16.0138 7.46812 4.68409 7.92688 12.3267 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.1146 11.0256 7.11802 9.68947 9.22661 5.92062 7.46812 4.68409 7.92688 6.51868 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 9.1146 11.0256 7.11802 5.10826 7.56378 6.61891 7.46812 4.68409 7.92688 7.34698 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 7.18433 9.39829 7.20191 16.2084 9.53462 7.98142 13.5221 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 7.7544 10.8374 7.81386 7.18433 9.39829 7.20191 16.714 11.1462 7.37327 14.5372 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 7.56138 5.44002 10.3603 11.6537 6.23291 9.19704 10.5073 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 6.77368 10.4837 7.54212 6.49768 9.07471 13.3447 13.2111 7.61682 7.18956 16.4961 numMergedOcc 0
16 mol 222 unq 1 iso 0 dist 7.73634 9.69122 7.54212 10.3035 9.07471 13.3447 11.3246 7.61682 7.18956 16.4961 numMergedOcc 0
17 mol 282 unq 0 iso 0 dist 7.71088 5.86383 8.04483 4.90579 9.0975 5.65568 10.5569 6.3384 6.85028 11.0343 numMergedOcc 0
18 mol 282 unq 1 iso 0 dist 7.71088 7.46064 6.33524 4.90579 9.0975 5.0324 10.5569 6.3384 7.32347 11.0343 numMergedOcc 0
