0 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 10.7937 8.72114 10.1959 10.5066 6.34041 11.024 6.14469 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.16444 6.84888 7.05346 5.86578 7.32257 8.88528 10.26 8.50424 8.076 7.35972 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 12.1567 6.72502 13.4836 8.60554 6.99746 20.0654 14.012 11.5841 6.72323 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.05602 14.9908 7.26086 11.0132 6.65501 11.2092 13.251 7.06961 8.43352 6.88901 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 7.00285 10.8678 5.88354 4.81103 5.59328 8.53212 6.04768 4.67519 6.62972 7.14031 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 8.02354 13.5865 5.88354 7.22196 5.59328 8.53212 9.40173 4.67519 6.62972 7.14031 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 7.85527 8.79034 6.98934 7.21894 8.99399 8.28905 8.05937 7.45148 11.9591 7.20249 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 7.85527 5.53632 7.99623 7.21894 8.99399 4.99495 8.05937 7.45148 9.9151 7.20249 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 5.57904 5.98568 5.53031 12.4426 7.80532 8.98004 9.95528 5.71679 10.0154 6.40575 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 9.47675 7.97183 7.86572 9.00056 9.97343 5.38571 13.5175 9.74444 12.165 9.10042 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 9.47675 7.97183 7.86572 9.00056 9.97343 5.38571 13.8137 6.91919 10.7655 9.75059 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 9.47675 7.97183 7.86572 9.00056 9.97343 5.38571 12.3922 10.1432 4.46777 6.83404 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 8.99392 8.24693 6.29877 12.2051 8.05069 10.352 7.22518 numMergedOcc 0
13 mol 171 unq 1 iso 0 dist 7.13441 6.15895 5.10618 8.99392 8.24693 6.29877 13.7696 12.6853 11.4752 5.25109 numMergedOcc 0
14 mol 171 unq 2 iso 0 dist 7.13441 6.15895 5.10618 5.68701 6.71356 5.90358 12.2051 8.05069 10.352 7.58499 numMergedOcc 0
15 mol 171 unq 3 iso 0 dist 7.13441 6.15895 5.10618 5.68701 6.71356 5.90358 13.7696 12.6853 11.4752 8.21618 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 9.95045 16.7146 7.83711 4.95971 9.05071 13.8622 11.8822 4.9377 6.57921 9.8664 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 5.67917 6.85179 6.66971 6.32646 8.69104 10.2777 8.52162 8.1195 13.0636 5.92374 numMergedOcc 0
