0 mol 18 unq 0 iso 0 dist 8.38998 7.30231 10.1811 10.8382 16.0882 6.09533 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 8.19078 9.71933 4.95968 7.33499 8.98177 9.03346 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.56621 6.82511 5.37935 3.95228 6.88786 5.57551 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.11977 6.45955 5.03002 4.76152 11.5919 7.94132 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 8.585 7.94697 9.75286 11.2863 13.1015 9.53663 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 8.2592 7.91691 11.5904 3.97596 11.871 8.60172 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 5.98822 4.60192 5.11935 4.36058 6.81489 6.01857 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 9.66306 6.84006 7.47617 3.55317 9.12964 9.18784 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 8.84182 9.08322 7.47617 4.53716 9.12964 9.18784 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 9.55462 9.91021 8.17376 4.452 11.2089 7.93106 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 9.55462 9.91021 8.17376 11.0787 9.62396 7.04904 numMergedOcc 0
11 mol 129 unq 2 iso 0 dist 9.51379 5.5917 8.17376 5.47042 11.2089 7.93106 numMergedOcc 0
12 mol 129 unq 3 iso 0 dist 9.51379 5.5917 8.17376 4.02665 9.62396 7.04904 numMergedOcc 0
13 mol 129 unq 4 iso 0 dist 9.51379 5.24806 6.47582 5.47042 11.2089 9.05575 numMergedOcc 0
14 mol 129 unq 5 iso 0 dist 9.51379 5.24806 6.47582 4.02665 9.62396 5.06053 numMergedOcc 0
15 mol 136 unq 0 iso 0 dist 9.73117 6.99374 4.91049 4.90618 9.87222 8.59512 numMergedOcc 0
16 mol 136 unq 1 iso 0 dist 8.52183 6.99374 6.00387 4.90618 12.404 8.59512 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 5.67578 5.55632 4.8443 7.0408 7.31277 8.26128 numMergedOcc 0
18 mol 185 unq 0 iso 0 dist 7.7352 9.62449 6.6815 12.1385 12.3249 8.07469 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.17005 8.19926 6.35206 11.641 13.2771 9.14525 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 6.61361 7.39043 10.6705 6.24332 12.7157 7.45831 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 9.61732 9.76929 14.793 3.39532 12.4432 8.53092 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.94629 8.95095 9.93118 12.7366 17.4373 9.60767 numMergedOcc 0
23 mol 269 unq 0 iso 0 dist 6.33404 6.8127 4.41005 10.7788 7.97206 6.72096 numMergedOcc 0
24 mol 269 unq 1 iso 0 dist 6.33404 6.8127 4.41005 5.39605 7.1068 9.18157 numMergedOcc 0
25 mol 269 unq 2 iso 0 dist 9.76974 6.8127 9.66988 10.7788 14.1859 6.72096 numMergedOcc 0
26 mol 269 unq 3 iso 0 dist 9.76974 6.8127 9.66988 5.39605 11.2402 9.18157 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 7.64578 6.82335 10.2032 5.90162 9.86356 9.64969 numMergedOcc 0
28 mol 294 unq 1 iso 0 dist 5.85292 9.14005 10.2032 8.68297 9.86356 9.64969 numMergedOcc 0
29 mol 294 unq 2 iso 0 dist 6.28096 6.82335 5.33113 5.90162 6.42303 9.64969 numMergedOcc 0
