0 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 8.52463 9.36461 5.80953 15.5324 17.4067 13.6174 8.4051 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.60423 7.95042 4.47891 8.52463 9.36461 5.80953 6.86014 6.00575 5.69214 7.29868 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.60423 7.95042 4.47891 8.52463 9.36461 5.80953 8.86116 5.97304 5.11636 8.60554 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 4.93188 5.68215 8.10397 4.50066 8.78859 6.19899 11.0194 12.0003 8.91183 9.01567 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 4.93188 5.68215 8.10397 5.11617 4.90592 6.61696 5.54419 4.33963 10.1698 8.4051 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 4.93188 5.68215 8.10397 5.11617 4.90592 6.61696 11.0194 12.0003 8.91183 7.29868 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 4.93188 5.68215 8.10397 5.11617 4.90592 6.61696 13.2433 11.2106 14.8647 8.60554 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 9.24958 8.87744 7.55689 6.38336 9.32328 4.5711 7.36323 4.33963 6.28159 8.23446 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 9.24958 7.27472 5.11135 6.38336 9.32328 4.44526 7.36323 4.33963 5.50396 8.23446 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 9.24958 7.27472 5.11135 6.7828 8.16324 9.586 7.36323 4.33963 5.50396 8.75662 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 9.24958 7.27472 5.11135 6.7828 8.16324 9.586 15.5296 11.2106 14.4081 9.44691 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 5.81959 7.6114 11.4877 5.68392 11.3646 6.29797 6.03987 8.4666 5.86705 6.85556 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 6.90155 9.48085 13.7717 6.08585 12.7162 6.53269 11.9561 17.9006 13.6145 8.87757 numMergedOcc 0
13 mol 25 unq 2 iso 0 dist 6.90155 9.48085 13.7717 6.08585 12.7162 6.53269 7.57578 9.36158 5.18617 8.50222 numMergedOcc 0
14 mol 25 unq 3 iso 0 dist 6.90155 9.48085 13.7717 6.08585 12.7162 6.53269 7.17969 10.1525 5.68041 7.55264 numMergedOcc 0
15 mol 25 unq 4 iso 0 dist 6.6492 6.55597 8.89681 5.77929 11.4352 9.16515 5.04899 9.20601 4.69295 8.87757 numMergedOcc 0
16 mol 25 unq 5 iso 0 dist 6.6492 6.55597 8.89681 5.77929 11.4352 9.16515 12.7009 15.572 13.2447 8.50222 numMergedOcc 0
17 mol 25 unq 6 iso 0 dist 6.6492 6.55597 8.89681 5.77929 11.4352 9.16515 12.8117 16.7731 14.9982 7.55264 numMergedOcc 0
18 mol 25 unq 7 iso 0 dist 6.6492 7.07751 5.5511 5.77929 11.4352 9.82987 5.04899 9.20601 8.79309 8.87757 numMergedOcc 0
19 mol 25 unq 8 iso 0 dist 6.6492 7.07751 5.5511 5.77929 11.4352 9.82987 12.7009 15.572 11.8139 8.50222 numMergedOcc 0
20 mol 25 unq 9 iso 0 dist 6.6492 7.07751 5.5511 5.77929 11.4352 9.82987 12.8117 16.7731 14.1251 7.55264 numMergedOcc 0
21 mol 25 unq 10 iso 0 dist 6.6492 9.49421 11.7199 5.77929 11.4352 6.53269 5.04899 9.20601 13.6145 8.87757 numMergedOcc 0
22 mol 25 unq 11 iso 0 dist 6.6492 9.49421 11.7199 5.77929 11.4352 6.53269 12.7009 15.572 5.18617 8.50222 numMergedOcc 0
23 mol 25 unq 12 iso 0 dist 6.6492 9.49421 11.7199 5.77929 11.4352 6.53269 12.8117 16.7731 5.68041 7.55264 numMergedOcc 0
24 mol 73 unq 0 iso 0 dist 7.04044 9.73086 7.8972 5.11416 6.48232 6.14542 9.96396 8.26458 5.70116 9.24757 numMergedOcc 0
25 mol 73 unq 1 iso 0 dist 8.73253 8.68662 10.9746 6.56633 6.48232 8.96616 6.19304 8.26458 6.20232 9.24757 numMergedOcc 0
26 mol 73 unq 2 iso 0 dist 8.73253 7.4369 7.8972 6.56633 6.48232 6.14542 6.19304 8.26458 5.70116 9.24757 numMergedOcc 0
27 mol 109 unq 0 iso 0 dist 8.0831 9.89083 11.0597 10.0688 14.3781 7.56755 13.1098 15.9335 5.00433 7.80523 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 10.8661 14.7366 8.67537 10.1813 10.326 4.39676 6.73586 numMergedOcc 0
29 mol 119 unq 1 iso 0 dist 8.56342 7.64052 6.29394 12.0175 14.7366 8.67537 9.72413 10.326 4.39676 6.73586 numMergedOcc 0
30 mol 119 unq 2 iso 0 dist 6.37542 7.64052 9.64502 12.0175 15.9094 8.67537 9.72413 11.0351 4.39676 6.73586 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 7.1797 9.30061 9.0176 13.8307 13.1292 12.847 7.69991 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 7.36779 9.66543 4.935 7.1797 9.30061 9.0176 11.7385 9.4027 8.06642 6.23142 numMergedOcc 0
33 mol 134 unq 2 iso 0 dist 7.36779 9.66543 4.935 7.1797 9.30061 9.0176 11.3835 5.12325 4.00092 9.94764 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 8.20836 7.21868 4.935 4.57832 9.30061 9.0176 11.9139 13.1292 12.847 7.69991 numMergedOcc 0
35 mol 134 unq 4 iso 0 dist 8.20836 7.21868 4.935 4.57832 9.30061 9.0176 8.94367 9.4027 8.06642 6.23142 numMergedOcc 0
36 mol 134 unq 5 iso 0 dist 8.20836 7.21868 4.935 4.57832 9.30061 9.0176 9.86662 5.12325 4.00092 9.94764 numMergedOcc 0
37 mol 204 unq 0 iso 0 dist 6.85441 7.9133 9.54203 5.86489 5.91727 9.48625 8.51516 5.74707 5.57347 7.32294 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 6.35849 14.3567 9.18728 7.22101 11.0628 5.0317 7.43071 numMergedOcc 0
39 mol 227 unq 1 iso 0 dist 8.38865 5.23634 7.3164 6.35849 14.3567 9.18728 7.09863 12.9587 5.83175 6.02296 numMergedOcc 0
40 mol 227 unq 2 iso 0 dist 8.38865 5.23634 7.3164 10.9607 12.135 8.91971 7.22101 11.0628 5.0317 5.41321 numMergedOcc 0
41 mol 227 unq 3 iso 0 dist 5.4694 6.91318 7.3164 10.204 14.3567 9.18728 8.65997 11.0628 5.0317 7.43071 numMergedOcc 0
42 mol 227 unq 4 iso 0 dist 5.4694 6.91318 7.3164 10.204 14.3567 9.18728 10.8157 12.9587 5.83175 6.02296 numMergedOcc 0
43 mol 227 unq 5 iso 0 dist 5.4694 6.91318 7.3164 9.72615 12.135 8.91971 8.65997 11.0628 5.0317 5.41321 numMergedOcc 0
44 mol 229 unq 0 iso 0 dist 8.92743 7.27993 6.93188 6.65022 13.9637 9.37336 8.22528 11.6847 5.70473 8.66332 numMergedOcc 0
45 mol 229 unq 1 iso 0 dist 5.77318 6.95201 6.93188 10.2411 13.9637 9.37336 11.7165 11.6847 5.70473 8.66332 numMergedOcc 0
46 mol 232 unq 0 iso 0 dist 7.83711 6.71524 8.03712 4.9377 6.57921 9.9183 10.5803 5.8023 9.74344 8.50102 numMergedOcc 0
47 mol 232 unq 1 iso 0 dist 7.83711 6.71524 8.03712 4.9377 6.57921 9.9183 8.27212 8.25884 5.10213 9.40808 numMergedOcc 0
48 mol 234 unq 0 iso 0 dist 7.5366 7.81215 11.0592 10.0059 16.6111 7.77911 10.3625 17.8765 13.1872 7.32499 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 7.4099 9.30212 5.85225 9.5468 11.1385 7.77765 12.3938 10.9886 5.22914 7.46394 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 7.4099 9.30212 5.85225 9.5468 11.1385 7.77765 10.7806 15.3247 12.393 9.45514 numMergedOcc 0
51 mol 274 unq 2 iso 0 dist 7.4099 9.30212 5.85225 9.5468 11.1385 7.77765 16.3286 19.8751 16.5034 8.91672 numMergedOcc 0
52 mol 274 unq 3 iso 0 dist 7.4099 9.30212 5.85225 9.5468 11.1385 7.77765 13.5896 15.2633 10.2884 7.1729 numMergedOcc 0
53 mol 274 unq 4 iso 0 dist 7.4099 6.4611 13.4431 9.5468 11.1385 9.65868 12.3938 10.9886 14.7507 7.46394 numMergedOcc 0
54 mol 274 unq 5 iso 0 dist 7.4099 6.4611 13.4431 9.5468 11.1385 9.65868 10.7806 15.3247 8.87855 9.45514 numMergedOcc 0
55 mol 274 unq 6 iso 0 dist 7.4099 6.4611 13.4431 9.5468 11.1385 9.65868 16.3286 19.8751 12.5615 8.91672 numMergedOcc 0
56 mol 274 unq 7 iso 0 dist 7.4099 6.4611 13.4431 9.5468 11.1385 9.65868 13.5896 15.2633 13.0867 7.1729 numMergedOcc 0
57 mol 274 unq 8 iso 0 dist 7.4099 6.4611 13.4431 6.70925 10.9469 8.60027 13.9359 13.9495 16.9539 8.52587 numMergedOcc 0
58 mol 274 unq 9 iso 0 dist 7.4099 6.4611 13.4431 6.70925 10.9469 8.60027 10.7806 15.3247 8.87855 6.39866 numMergedOcc 0
