0 mol 98 unq 0 iso 0 dist 8.01128 5.61418 4.05759 11.3093 6.2491 8.73798 numMergedOcc 0
1 mol 98 unq 1 iso 0 dist 8.01128 5.61418 4.05759 6.41542 3.59451 5.24616 numMergedOcc 0
2 mol 101 unq 0 iso 0 dist 5.58941 9.26699 9.58969 5.23253 5.51185 13.5672 numMergedOcc 0
3 mol 117 unq 0 iso 0 dist 5.98822 4.60192 5.11935 5.4348 5.24519 8.16392 numMergedOcc 0
4 mol 220 unq 0 iso 0 dist 9.15362 6.18239 5.5234 13.9902 7.96032 12.977 numMergedOcc 0
5 mol 239 unq 0 iso 0 dist 9.61732 9.76929 14.793 6.01923 8.33254 7.14918 numMergedOcc 0
6 mol 252 unq 0 iso 0 dist 9.19372 4.15692 8.56684 11.3721 8.04265 12.5807 numMergedOcc 0
7 mol 252 unq 1 iso 0 dist 9.19372 4.15692 8.56684 5.5062 9.42193 7.38867 numMergedOcc 0
8 mol 260 unq 0 iso 0 dist 7.246 7.22473 11.4881 6.0591 9.05149 12.295 numMergedOcc 0
9 mol 260 unq 1 iso 0 dist 7.246 7.22473 11.4881 5.42082 8.3298 9.42473 numMergedOcc 0
10 mol 260 unq 2 iso 0 dist 7.246 6.02628 9.7119 6.0591 9.05149 12.0556 numMergedOcc 0
11 mol 260 unq 3 iso 0 dist 7.246 6.02628 9.7119 5.42082 8.3298 4.20369 numMergedOcc 0
12 mol 269 unq 0 iso 0 dist 6.33404 6.8127 4.41005 5.36199 9.91093 7.79735 numMergedOcc 0
13 mol 283 unq 0 iso 0 dist 7.61141 7.58381 12.9548 9.08203 6.15136 15.2297 numMergedOcc 0
14 mol 284 unq 0 iso 0 dist 9.5276 5.06373 4.93279 14.2226 8.80317 10.4883 numMergedOcc 0
