0 mol 9 unq 0 iso 0 dist 7.05346 8.50424 8.076 15.1483 11.0722 9.62394 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.9944 6.02809 6.32226 14.896 14.814 9.62394 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 7.032 4.98827 6.32226 13.3648 14.814 9.62394 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 9.27637 11.8296 6.59455 14.8403 9.87669 7.32257 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 9.27637 11.8296 6.59455 13.208 11.4245 6.55811 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 9.27637 11.8296 6.59455 15.8993 14.7278 8.64915 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 9.27637 5.67536 5.71201 13.208 11.4245 8.48677 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 7.48847 6.42867 6.39966 9.78944 5.18512 6.41575 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 7.48847 6.42867 6.39966 9.56313 9.47529 6.41423 numMergedOcc 0
9 mol 19 unq 2 iso 0 dist 6.92532 4.97119 6.39966 4.54938 5.18512 6.41575 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 6.92532 4.97119 6.39966 6.864 9.47529 6.41423 numMergedOcc 0
11 mol 19 unq 4 iso 0 dist 6.36455 6.01808 6.39966 7.82074 5.18512 6.41575 numMergedOcc 0
12 mol 19 unq 5 iso 0 dist 6.36455 6.01808 6.39966 11.0366 9.47529 6.41423 numMergedOcc 0
13 mol 24 unq 0 iso 0 dist 6.60423 4.32034 9.69752 6.86014 6.00575 7.33768 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 6.60423 8.52463 9.36461 15.5324 17.4067 8.4051 numMergedOcc 0
15 mol 24 unq 2 iso 0 dist 6.60423 8.52463 9.36461 6.86014 6.00575 7.29868 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 6.60423 8.52463 9.36461 8.86116 5.97304 8.60554 numMergedOcc 0
17 mol 24 unq 4 iso 0 dist 7.83786 9.6469 9.69752 11.573 6.00575 7.33768 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 7.83786 14.6654 9.36461 21.7276 17.4067 8.4051 numMergedOcc 0
19 mol 24 unq 6 iso 0 dist 7.83786 14.6654 9.36461 11.573 6.00575 7.29868 numMergedOcc 0
20 mol 24 unq 7 iso 0 dist 7.83786 14.6654 9.36461 10.5273 5.97304 8.60554 numMergedOcc 0
21 mol 24 unq 8 iso 0 dist 4.93188 5.11617 4.90592 5.54419 4.33963 8.4051 numMergedOcc 0
22 mol 24 unq 9 iso 0 dist 4.93188 5.11617 4.90592 11.0194 12.0003 7.29868 numMergedOcc 0
23 mol 24 unq 10 iso 0 dist 4.93188 5.11617 4.90592 13.2433 11.2106 8.60554 numMergedOcc 0
24 mol 24 unq 11 iso 0 dist 4.93188 10.8238 8.16324 5.54419 4.33963 8.75662 numMergedOcc 0
25 mol 24 unq 12 iso 0 dist 4.93188 10.8238 8.16324 13.2433 11.2106 9.44691 numMergedOcc 0
26 mol 24 unq 13 iso 0 dist 9.24958 13.2229 4.90592 7.36323 4.33963 8.4051 numMergedOcc 0
27 mol 24 unq 14 iso 0 dist 9.24958 13.2229 4.90592 20.3888 12.0003 7.29868 numMergedOcc 0
28 mol 24 unq 15 iso 0 dist 9.24958 13.2229 4.90592 15.5296 11.2106 8.60554 numMergedOcc 0
29 mol 24 unq 16 iso 0 dist 9.24958 6.7828 8.16324 7.36323 4.33963 8.75662 numMergedOcc 0
30 mol 24 unq 17 iso 0 dist 9.24958 6.7828 8.16324 15.5296 11.2106 9.44691 numMergedOcc 0
31 mol 58 unq 0 iso 0 dist 7.27383 5.85698 6.62229 10.3224 10.4524 8.80614 numMergedOcc 0
32 mol 73 unq 0 iso 0 dist 7.04044 5.11416 6.48232 9.96396 8.26458 9.24757 numMergedOcc 0
33 mol 73 unq 1 iso 0 dist 8.73253 6.56633 6.48232 6.19304 8.26458 9.24757 numMergedOcc 0
34 mol 75 unq 0 iso 0 dist 7.9233 5.38908 7.6433 12.3916 5.36954 9.81166 numMergedOcc 0
35 mol 85 unq 0 iso 0 dist 8.00777 11.165 8.70863 11.3023 6.37974 9.82915 numMergedOcc 0
36 mol 85 unq 1 iso 0 dist 7.1589 9.29301 8.70863 7.97049 6.37974 9.82915 numMergedOcc 0
37 mol 96 unq 0 iso 0 dist 5.92032 5.04559 7.3964 10.3174 6.16858 8.39111 numMergedOcc 0
38 mol 98 unq 0 iso 0 dist 7.26086 7.06961 8.43352 5.08437 7.32662 6.7117 numMergedOcc 0
39 mol 98 unq 1 iso 0 dist 7.26086 7.06961 8.43352 6.10456 6.934 4.47349 numMergedOcc 0
40 mol 98 unq 2 iso 0 dist 7.26086 7.06961 8.43352 10.1136 7.17433 5.65185 numMergedOcc 0
41 mol 119 unq 0 iso 0 dist 7.77116 7.20179 8.8562 10.3704 4.99056 9.11344 numMergedOcc 0
42 mol 119 unq 1 iso 0 dist 7.77116 7.20179 8.8562 8.73993 3.78311 6.52773 numMergedOcc 0
43 mol 119 unq 2 iso 0 dist 7.77116 9.89358 7.91683 8.73993 3.78311 9.23858 numMergedOcc 0
44 mol 126 unq 0 iso 0 dist 9.46588 6.0268 5.94233 6.06638 5.5703 6.30546 numMergedOcc 0
45 mol 126 unq 1 iso 0 dist 9.46588 8.01268 8.56219 12.1603 9.71711 6.29233 numMergedOcc 0
46 mol 129 unq 0 iso 0 dist 8.03372 4.55551 9.94578 5.83384 6.67948 6.28565 numMergedOcc 0
47 mol 130 unq 0 iso 0 dist 9.28592 8.01932 9.13191 16.5216 13.4409 8.78276 numMergedOcc 0
48 mol 130 unq 1 iso 0 dist 9.28592 8.01932 9.13191 14.5247 9.44878 7.88805 numMergedOcc 0
49 mol 130 unq 2 iso 0 dist 9.28592 8.01932 9.13191 13.4452 14.206 7.96646 numMergedOcc 0
50 mol 130 unq 3 iso 0 dist 9.28592 8.01932 9.13191 10.3889 4.28797 7.90048 numMergedOcc 0
51 mol 130 unq 4 iso 0 dist 9.28592 6.75397 6.95405 10.3889 4.28797 9.99802 numMergedOcc 0
52 mol 131 unq 0 iso 0 dist 9.15431 9.60968 8.50562 14.2958 9.32969 9.90168 numMergedOcc 0
53 mol 131 unq 1 iso 0 dist 8.86329 7.7567 5.56627 8.40312 5.89022 9.90168 numMergedOcc 0
54 mol 131 unq 2 iso 0 dist 8.71039 8.23791 5.56627 7.12972 5.89022 9.90168 numMergedOcc 0
55 mol 131 unq 3 iso 0 dist 6.92648 8.23791 8.50562 7.12972 9.32969 9.90168 numMergedOcc 0
56 mol 131 unq 4 iso 0 dist 9.29384 13.7237 8.50562 6.85062 9.32969 9.90168 numMergedOcc 0
57 mol 134 unq 0 iso 0 dist 7.36779 7.1797 9.30061 13.8307 13.1292 7.69991 numMergedOcc 0
58 mol 134 unq 1 iso 0 dist 7.36779 7.1797 9.30061 11.7385 9.4027 6.23142 numMergedOcc 0
59 mol 134 unq 2 iso 0 dist 7.36779 7.1797 9.30061 11.3835 5.12325 9.94764 numMergedOcc 0
60 mol 134 unq 3 iso 0 dist 8.20836 4.57832 9.30061 11.9139 13.1292 7.69991 numMergedOcc 0
61 mol 134 unq 4 iso 0 dist 8.20836 4.57832 9.30061 8.94367 9.4027 6.23142 numMergedOcc 0
62 mol 134 unq 5 iso 0 dist 8.20836 4.57832 9.30061 9.86662 5.12325 9.94764 numMergedOcc 0
63 mol 156 unq 0 iso 0 dist 5.38091 5.81563 7.46845 11.6719 12.962 9.00416 numMergedOcc 0
64 mol 175 unq 0 iso 0 dist 8.0154 7.27408 9.71028 9.29945 4.24624 9.39352 numMergedOcc 0
65 mol 175 unq 1 iso 0 dist 7.35824 11.8693 5.89564 18.431 11.3554 9.77896 numMergedOcc 0
66 mol 181 unq 0 iso 0 dist 6.51749 5.6044 7.11785 5.98885 5.93488 9.72611 numMergedOcc 0
67 mol 181 unq 1 iso 0 dist 7.20392 12.9468 7.11785 9.09537 5.93488 9.72611 numMergedOcc 0
68 mol 204 unq 0 iso 0 dist 6.85441 5.86489 5.91727 8.51516 5.74707 7.32294 numMergedOcc 0
69 mol 209 unq 0 iso 0 dist 8.41195 6.552 7.97418 7.56373 4.90038 6.85935 numMergedOcc 0
70 mol 220 unq 0 iso 0 dist 5.45036 7.11498 5.37796 9.23153 6.17628 6.59716 numMergedOcc 0
71 mol 222 unq 0 iso 0 dist 9.2581 5.89689 9.08955 12.6531 6.42798 9.07471 numMergedOcc 0
72 mol 222 unq 1 iso 0 dist 9.62632 10.6944 9.08955 11.8674 6.42798 9.07471 numMergedOcc 0
73 mol 222 unq 2 iso 0 dist 7.862 7.75466 9.08955 6.00706 6.42798 9.07471 numMergedOcc 0
74 mol 232 unq 0 iso 0 dist 7.83711 4.9377 6.57921 10.5803 5.8023 8.50102 numMergedOcc 0
75 mol 232 unq 1 iso 0 dist 7.83711 4.9377 6.57921 8.27212 8.25884 9.40808 numMergedOcc 0
76 mol 239 unq 0 iso 0 dist 8.67805 5.05321 5.0804 13.6473 5.66732 9.01021 numMergedOcc 0
77 mol 248 unq 0 iso 0 dist 6.77954 4.30004 7.97135 9.56569 6.71566 7.16525 numMergedOcc 0
78 mol 274 unq 0 iso 0 dist 9.56685 5.29529 8.2997 7.56915 5.90436 8.52587 numMergedOcc 0
79 mol 274 unq 1 iso 0 dist 9.56685 5.29529 8.2997 11.3168 10.4342 6.39866 numMergedOcc 0
