0 mol 0 unq 0 iso 0 dist 9.94248 16.5727 9.23213 14.3653 5.08793 9.6994 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.94248 16.5727 9.23213 19.297 10.4498 7.15528 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 9.20338 11.7203 8.21493 14.5813 5.90976 8.38064 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 9.20338 11.6322 7.12903 14.5813 5.90976 9.97507 numMergedOcc 0
4 mol 15 unq 2 iso 0 dist 9.20338 11.6322 7.12903 14.2985 5.51916 6.82505 numMergedOcc 0
5 mol 16 unq 0 iso 0 dist 5.77753 5.38671 7.03948 8.33883 6.2983 5.05803 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 5.77753 5.45161 5.47769 8.33883 6.2983 6.31718 numMergedOcc 0
7 mol 16 unq 2 iso 0 dist 5.77753 5.45161 5.47769 9.79958 5.94084 7.63133 numMergedOcc 0
8 mol 16 unq 3 iso 0 dist 5.77753 6.43294 6.58035 9.79958 5.94084 5.46498 numMergedOcc 0
9 mol 19 unq 0 iso 0 dist 9.04865 12.4435 8.23643 16.8224 11.0832 7.20519 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 9.04865 12.4435 8.23643 13.8602 6.55187 4.54938 numMergedOcc 0
11 mol 19 unq 2 iso 0 dist 9.04865 12.4435 8.23643 18.8997 12.3093 6.864 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 9.04865 9.84922 8.73972 13.8602 6.55187 7.82074 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 6.4154 10.4716 8.70133 11.7436 13.4082 9.38498 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 6.4154 10.4716 8.70133 6.89722 7.41074 9.96396 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 6.4154 10.4716 8.70133 14.4206 15.9882 9.75218 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 6.4154 8.04817 5.64598 11.905 9.77992 5.93252 numMergedOcc 0
17 mol 73 unq 4 iso 0 dist 6.4154 5.2774 4.65521 6.89722 7.41074 6.19304 numMergedOcc 0
18 mol 86 unq 0 iso 0 dist 9.54683 4.98527 7.79359 14.315 9.68893 9.5497 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 8.15367 11.9657 8.36431 14.7733 10.9701 9.33898 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 8.15367 11.9657 8.36431 19.5554 12.4284 9.64443 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 9.82043 5.2995 6.58204 13.2687 10.9608 9.60661 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 9.82043 5.2995 6.58204 11.8029 5.01145 7.17106 numMergedOcc 0
23 mol 100 unq 2 iso 0 dist 9.82043 5.2995 6.58204 12.5343 5.69137 9.35224 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 9.82043 7.58985 7.75343 12.0248 15.209 7.47343 numMergedOcc 0
25 mol 100 unq 4 iso 0 dist 9.82043 7.58985 7.75343 13.2687 10.9608 6.65086 numMergedOcc 0
26 mol 100 unq 5 iso 0 dist 9.82043 7.58985 7.75343 12.5343 5.69137 6.56369 numMergedOcc 0
27 mol 100 unq 6 iso 0 dist 9.82043 7.58985 7.75343 15.2752 9.21622 9.30209 numMergedOcc 0
28 mol 102 unq 0 iso 0 dist 9.50209 5.54551 9.94856 9.80678 5.498 7.36792 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 5.60716 5.71451 6.50039 8.81562 5.60178 4.99221 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 5.52706 5.889 6.50039 6.86946 5.60178 4.99221 numMergedOcc 0
31 mol 127 unq 0 iso 0 dist 8.20636 16.0489 8.59981 22.9955 14.9761 8.14887 numMergedOcc 0
32 mol 127 unq 1 iso 0 dist 8.20636 16.0489 8.59981 22.1143 14.085 9.30299 numMergedOcc 0
33 mol 127 unq 2 iso 0 dist 8.03243 9.75166 8.59981 12.4824 14.9761 8.14887 numMergedOcc 0
34 mol 127 unq 3 iso 0 dist 8.03243 9.75166 8.59981 8.40046 14.085 9.30299 numMergedOcc 0
35 mol 130 unq 0 iso 0 dist 9.03277 10.8983 6.89257 17.2149 8.84655 8.70949 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 8.25207 14.4683 7.92688 11.5008 4.68409 7.11802 numMergedOcc 0
37 mol 133 unq 1 iso 0 dist 8.25207 14.4683 7.92688 18.0344 12.2037 8.00618 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 5.64806 6.68061 7.16254 9.70079 6.3845 6.23493 numMergedOcc 0
39 mol 155 unq 1 iso 0 dist 5.64806 11.0287 9.14392 9.70079 6.3845 7.46303 numMergedOcc 0
40 mol 155 unq 2 iso 0 dist 5.64806 11.0287 9.14392 15.6872 12.1814 6.43582 numMergedOcc 0
41 mol 156 unq 0 iso 0 dist 8.47477 6.39035 6.27641 12.8527 7.29758 7.44554 numMergedOcc 0
42 mol 156 unq 1 iso 0 dist 8.47477 6.39035 6.27641 14.7712 8.67156 8.94056 numMergedOcc 0
43 mol 156 unq 2 iso 0 dist 8.47477 6.39035 6.27641 11.0838 4.53931 9.83699 numMergedOcc 0
44 mol 156 unq 3 iso 0 dist 8.57453 9.27577 6.27641 13.6067 7.29758 7.44554 numMergedOcc 0
45 mol 156 unq 4 iso 0 dist 8.57453 9.27577 6.27641 16.4964 8.67156 8.94056 numMergedOcc 0
46 mol 156 unq 5 iso 0 dist 8.57453 9.27577 6.27641 9.16591 4.53931 9.83699 numMergedOcc 0
47 mol 175 unq 0 iso 0 dist 6.84347 12.1089 9.31887 17.1425 11.0415 9.0018 numMergedOcc 0
48 mol 175 unq 1 iso 0 dist 6.84347 12.1089 9.31887 11.1504 5.0384 7.652 numMergedOcc 0
49 mol 182 unq 0 iso 0 dist 9.23118 5.40949 6.73313 7.86625 11.1088 9.31746 numMergedOcc 0
50 mol 214 unq 0 iso 0 dist 6.35728 10.644 7.46831 8.49704 6.67959 8.85478 numMergedOcc 0
51 mol 222 unq 0 iso 0 dist 5.04916 4.28891 7.18956 8.7347 7.61682 7.54212 numMergedOcc 0
52 mol 224 unq 0 iso 0 dist 8.77324 5.19217 8.19953 13.1546 8.64911 9.40098 numMergedOcc 0
53 mol 224 unq 1 iso 0 dist 8.77324 5.19217 8.19953 11.3126 10.7113 6.61986 numMergedOcc 0
54 mol 224 unq 2 iso 0 dist 6.4508 5.41021 6.67585 9.33771 5.29877 8.95269 numMergedOcc 0
55 mol 224 unq 3 iso 0 dist 6.4508 4.91322 6.65984 9.33771 5.29877 6.57273 numMergedOcc 0
56 mol 224 unq 4 iso 0 dist 6.4508 4.91322 6.65984 7.39839 6.12232 6.60589 numMergedOcc 0
57 mol 224 unq 5 iso 0 dist 8.60781 5.63485 6.87664 9.34636 7.98696 8.95269 numMergedOcc 0
58 mol 224 unq 6 iso 0 dist 8.60781 5.63485 6.87664 9.79616 7.12232 6.57273 numMergedOcc 0
59 mol 224 unq 7 iso 0 dist 8.60781 5.63485 6.87664 10.0081 5.3621 5.78342 numMergedOcc 0
60 mol 227 unq 0 iso 0 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 numMergedOcc 0
61 mol 227 unq 1 iso 0 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 numMergedOcc 0
62 mol 227 unq 2 iso 0 dist 8.34104 14.9329 8.17891 13.0242 9.13836 7.09863 numMergedOcc 0
63 mol 227 unq 3 iso 0 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 numMergedOcc 0
64 mol 235 unq 0 iso 0 dist 8.60471 5.47633 9.58736 9.94654 9.66021 5.4638 numMergedOcc 0
65 mol 259 unq 0 iso 0 dist 5.70124 11.9055 6.77938 10.5558 4.99891 5.30224 numMergedOcc 0
66 mol 264 unq 0 iso 0 dist 9.67417 10.0289 9.0012 16.8589 9.74238 9.361 numMergedOcc 0
67 mol 264 unq 1 iso 0 dist 9.67417 10.0289 9.0012 6.75305 5.12409 6.24356 numMergedOcc 0
68 mol 265 unq 0 iso 0 dist 9.01586 5.11366 6.34034 12.3211 6.43013 8.4218 numMergedOcc 0
69 mol 274 unq 0 iso 0 dist 5.12523 5.1874 7.97444 9.696 6.8406 8.49997 numMergedOcc 0
70 mol 278 unq 0 iso 0 dist 7.76881 9.40662 6.35287 13.774 6.07447 8.44326 numMergedOcc 0
71 mol 282 unq 0 iso 0 dist 5.2527 4.85461 6.85028 9.63346 6.3384 8.04483 numMergedOcc 0
72 mol 282 unq 1 iso 0 dist 5.2527 8.85797 7.32347 9.63346 6.3384 6.33524 numMergedOcc 0
73 mol 294 unq 0 iso 0 dist 9.20616 11.0443 9.03492 14.1357 6.17102 8.15665 numMergedOcc 0
