0 mol 0 unq 0 iso 0 dist 7.20999 5.56011 7.65806 4.21143 9.67081 8.29174 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 5.9024 8.28153 6.49982 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 9.70735 4.90888 6.82505 5.9024 8.28153 3.78082 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 5.24477 7.03372 7.23535 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 6.23095 11.5983 6.03987 5.24477 7.03372 9.92243 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 5.2422 5.74753 9.24927 14.9436 9.99939 19.1023 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 6.1032 7.39848 9.86609 numMergedOcc 0
7 mol 52 unq 0 iso 0 dist 5.26018 12.8491 9.80098 5.02333 6.22221 8.88455 numMergedOcc 0
8 mol 52 unq 1 iso 0 dist 5.26018 10.3287 7.34143 5.02333 6.22221 9.53385 numMergedOcc 0
9 mol 52 unq 2 iso 0 dist 7.1203 5.92851 9.80098 10.0938 6.22221 8.88455 numMergedOcc 0
10 mol 52 unq 3 iso 0 dist 7.1203 6.03647 7.34143 10.0938 6.22221 9.53385 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 4.61081 4.86198 5.21565 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 4.61081 4.86198 10.7434 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 8.16299 10.3774 8.70481 11.3918 7.37171 15.1432 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 8.27015 12.6626 8.70481 6.29235 7.37171 15.1432 numMergedOcc 0
15 mol 75 unq 0 iso 0 dist 8.2147 13.5815 7.79912 11.7519 9.16597 4.74027 numMergedOcc 0
16 mol 78 unq 0 iso 0 dist 5.57265 5.58109 7.9245 6.75646 7.69072 3.46486 numMergedOcc 0
17 mol 78 unq 1 iso 0 dist 7.05258 5.3454 7.9245 6.60367 7.69072 3.46486 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 12.6133 7.92856 8.29813 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 8.05602 4.72129 6.48948 12.6133 7.92856 13.2057 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 8.05602 12.0339 6.10456 12.6133 7.92856 12.7473 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 9.08014 7.41343 5.86073 6.55681 7.02367 5.37655 numMergedOcc 0
22 mol 113 unq 1 iso 0 dist 9.08014 7.41343 5.86073 11.1233 9.30832 5.46207 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 8.46684 5.14332 6.90986 8.51521 5.93278 6.34182 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 8.46684 5.14332 6.90986 11.3635 6.19918 8.66957 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 8.46684 5.28643 5.39945 8.51521 5.93278 3.98154 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 8.46684 5.28643 5.39945 11.3635 6.19918 6.61688 numMergedOcc 0
27 mol 131 unq 0 iso 0 dist 8.99949 11.3502 6.85062 7.51072 8.80895 11.6692 numMergedOcc 0
28 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 5.19808 8.04118 4.05822 numMergedOcc 0
29 mol 142 unq 1 iso 0 dist 7.15087 5.50176 5.31024 5.19808 8.04118 4.7832 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 8.62303 7.13783 13.3822 numMergedOcc 0
31 mol 210 unq 0 iso 0 dist 8.71409 12.9212 6.18308 10.8881 6.85824 4.29623 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 5.47561 10.6375 8.01589 9.2281 5.1609 6.91863 numMergedOcc 0
33 mol 222 unq 1 iso 0 dist 5.47561 5.39098 7.7699 9.2281 5.1609 8.26703 numMergedOcc 0
34 mol 222 unq 2 iso 0 dist 5.47561 5.60111 7.21333 9.2281 5.1609 8.89157 numMergedOcc 0
35 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 15.2257 8.25985 4.04428 numMergedOcc 0
36 mol 232 unq 1 iso 0 dist 9.95045 12.5761 8.27212 11.1518 9.27788 4.22149 numMergedOcc 0
37 mol 239 unq 0 iso 0 dist 8.61729 7.02319 6.16342 8.18179 4.43499 4.32238 numMergedOcc 0
38 mol 253 unq 0 iso 0 dist 7.26981 9.23512 7.32223 13.6897 9.19385 5.85692 numMergedOcc 0
39 mol 253 unq 1 iso 0 dist 7.26981 9.23512 7.32223 5.17707 7.14243 9.00842 numMergedOcc 0
40 mol 253 unq 2 iso 0 dist 7.26981 9.23512 7.32223 6.10294 5.77511 11.5574 numMergedOcc 0
41 mol 253 unq 3 iso 0 dist 7.26981 9.23512 7.32223 5.04216 7.81382 12.8384 numMergedOcc 0
42 mol 253 unq 4 iso 0 dist 7.26981 10.8952 8.31064 13.6897 9.19385 6.0222 numMergedOcc 0
43 mol 253 unq 5 iso 0 dist 7.26981 10.8952 8.31064 5.17707 7.14243 6.93212 numMergedOcc 0
44 mol 253 unq 6 iso 0 dist 7.26981 10.8952 8.31064 6.10294 5.77511 10.2118 numMergedOcc 0
45 mol 253 unq 7 iso 0 dist 7.26981 10.8952 8.31064 5.04216 7.81382 12.4811 numMergedOcc 0
46 mol 253 unq 8 iso 0 dist 9.02643 12.3948 7.32223 13.5912 9.19385 5.85692 numMergedOcc 0
47 mol 253 unq 9 iso 0 dist 9.02643 12.3948 7.32223 3.99655 7.14243 9.00842 numMergedOcc 0
48 mol 253 unq 10 iso 0 dist 9.02643 12.3948 7.32223 5.37143 5.77511 11.5574 numMergedOcc 0
49 mol 253 unq 11 iso 0 dist 9.02643 12.3948 7.32223 6.92436 7.81382 12.8384 numMergedOcc 0
50 mol 253 unq 12 iso 0 dist 9.02643 8.25257 8.31064 13.5912 9.19385 6.0222 numMergedOcc 0
51 mol 253 unq 13 iso 0 dist 9.02643 8.25257 8.31064 3.99655 7.14243 6.93212 numMergedOcc 0
52 mol 253 unq 14 iso 0 dist 9.02643 8.25257 8.31064 5.37143 5.77511 10.2118 numMergedOcc 0
53 mol 253 unq 15 iso 0 dist 9.02643 8.25257 8.31064 6.92436 7.81382 12.4811 numMergedOcc 0
54 mol 253 unq 16 iso 0 dist 8.68368 8.25257 6.73034 15.6704 8.94786 8.57513 numMergedOcc 0
55 mol 253 unq 17 iso 0 dist 8.68368 8.25257 6.73034 13.5912 9.1927 6.0222 numMergedOcc 0
56 mol 253 unq 18 iso 0 dist 8.68368 8.25257 6.73034 3.99655 9.60694 6.93212 numMergedOcc 0
57 mol 253 unq 19 iso 0 dist 8.68368 8.25257 6.73034 5.37143 9.27311 10.2118 numMergedOcc 0
58 mol 256 unq 0 iso 0 dist 5.98967 6.64029 8.29103 7.06908 4.80903 5.08421 numMergedOcc 0
59 mol 259 unq 0 iso 0 dist 8.57619 5.43184 5.30224 7.70492 9.18798 5.96249 numMergedOcc 0
60 mol 259 unq 1 iso 0 dist 8.57619 5.43184 5.30224 10.388 8.25897 5.97386 numMergedOcc 0
61 mol 280 unq 0 iso 0 dist 8.80588 8.30978 6.53701 9.17893 6.01897 6.87492 numMergedOcc 0
62 mol 280 unq 1 iso 0 dist 8.80588 5.80223 6.0664 9.17893 6.01897 3.51781 numMergedOcc 0
