0 mol 2 unq 0 iso 0 dist 5.42021 6.89072 4.00237 8.35692 9.39095 7.2721 5.67638 5.5745 6.90295 6.81721 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.81747 4.90216 4.82623 7.53537 9.34271 11.698 10.9658 9.00229 8.30217 15.0017 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.59503 5.04673 8.46944 13.947 7.29864 14.2282 4.73713 8.4545 5.42067 11.3522 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 9.59503 5.04673 8.46944 13.947 7.29864 14.2282 4.36394 7.01176 7.36435 10.0591 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 9.59503 5.04673 8.46944 14.5986 7.7399 10.8202 4.73713 8.4545 5.42067 12.2908 numMergedOcc 0
5 mol 92 unq 3 iso 0 dist 9.59503 5.04673 8.46944 14.5986 7.7399 10.8202 4.36394 7.01176 7.36435 13.6054 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.64281 9.86767 3.77247 5.96967 7.08403 7.02358 4.36935 10.783 9.59585 5.37655 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 9.64281 7.08403 5.96967 3.77247 9.86767 7.02358 14.0364 8.89481 7.02367 13.0914 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 8.43293 9.16089 4.74539 3.71884 8.03124 6.98791 5.89379 7.04864 6.42623 3.35803 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 8.43293 8.03124 3.71884 6.03314 9.58434 9.31385 6.81949 11.2107 8.38358 9.4846 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 8.43293 8.03124 3.71884 4.74539 9.16089 6.98791 6.81949 11.2107 8.38358 3.824 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 9.76722 6.48066 7.13766 3.56227 8.97414 5.86767 6.59758 11.209 7.48734 3.42733 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 9.76722 6.48066 7.13766 3.56227 8.97414 5.86767 5.81821 12.2644 5.6125 6.57536 numMergedOcc 0
13 mol 168 unq 2 iso 0 dist 9.76722 6.48066 7.13766 6.15982 8.00063 8.89343 6.59758 11.209 7.48734 11.8148 numMergedOcc 0
14 mol 168 unq 3 iso 0 dist 9.76722 6.48066 7.13766 6.15982 8.00063 8.89343 5.81821 12.2644 5.6125 10.612 numMergedOcc 0
15 mol 168 unq 4 iso 0 dist 9.76722 8.00063 6.15982 7.13766 6.48066 8.89343 12.1014 13.3351 8.92592 12.7437 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 9.83308 9.58901 3.89732 5.74428 7.33643 6.96715 4.34424 11.0485 9.37946 5.38859 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 5.44125 7.16035 3.4049 5.27311 8.00119 10.9876 10.0008 7.07224 9.96536 8.21023 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 5.44125 7.16035 3.4049 6.58331 5.50896 8.90812 10.0008 7.07224 9.96536 4.68341 numMergedOcc 0
19 mol 183 unq 2 iso 0 dist 5.44125 5.50896 6.58331 3.4049 7.16035 8.90812 9.42381 12.8756 9.1139 10.9247 numMergedOcc 0
20 mol 183 unq 3 iso 0 dist 5.44125 5.50896 6.58331 7.30851 6.2675 11.6584 9.42381 12.8756 9.1139 15.083 numMergedOcc 0
21 mol 183 unq 4 iso 0 dist 7.11505 9.61725 3.4049 3.84394 8.00119 10.9876 9.95614 7.07224 9.96536 8.21023 numMergedOcc 0
22 mol 183 unq 5 iso 0 dist 7.11505 9.61725 3.4049 5.46887 5.50896 8.90812 9.95614 7.07224 9.96536 4.68341 numMergedOcc 0
23 mol 183 unq 6 iso 0 dist 7.11505 5.50896 5.46887 3.4049 9.61725 8.90812 9.42381 11.6186 9.1139 10.9247 numMergedOcc 0
24 mol 183 unq 7 iso 0 dist 7.11505 5.50896 5.46887 7.30851 9.52042 11.6584 9.42381 11.6186 9.1139 15.083 numMergedOcc 0
25 mol 183 unq 8 iso 0 dist 8.7143 9.01531 3.4049 11.4328 8.00119 10.9876 9.81623 7.07224 9.96536 8.21023 numMergedOcc 0
26 mol 183 unq 9 iso 0 dist 8.7143 9.01531 3.4049 11.1045 5.50896 8.90812 9.81623 7.07224 9.96536 4.68341 numMergedOcc 0
27 mol 183 unq 10 iso 0 dist 8.7143 5.50896 11.1045 3.4049 9.01531 8.90812 9.42381 17.4464 9.1139 10.9247 numMergedOcc 0
28 mol 196 unq 0 iso 0 dist 7.556 6.10505 7.96489 12.9475 8.3151 15.6449 4.57882 6.25429 4.67869 12.1426 numMergedOcc 0
29 mol 232 unq 0 iso 0 dist 5.29561 8.00949 8.56792 5.28999 9.4726 13.0017 4.43222 9.56029 9.43618 5.00324 numMergedOcc 0
30 mol 232 unq 1 iso 0 dist 9.16638 8.00949 14.7394 5.28999 9.33969 13.0017 4.43222 11.9284 9.43618 5.00324 numMergedOcc 0
31 mol 232 unq 2 iso 0 dist 9.16638 8.00949 14.7394 10.1458 7.64079 14.3275 4.43222 11.9284 9.43618 10.1463 numMergedOcc 0
32 mol 232 unq 3 iso 0 dist 9.16638 7.64079 10.1458 14.7394 8.00949 14.3275 4.86949 13.0235 8.60731 16.7643 numMergedOcc 0
33 mol 232 unq 4 iso 0 dist 9.16638 7.64079 10.1458 5.97529 8.19257 12.5054 4.86949 13.0235 8.60731 9.30565 numMergedOcc 0
34 mol 285 unq 0 iso 0 dist 8.12306 5.28731 10.1123 5.00843 6.73396 8.80238 4.16039 12.0919 5.03601 8.33646 numMergedOcc 0
