0 mol 0 unq 0 iso 0 dist 9.72725 10.5877 5.88757 9.64573 6.94943 4.62412 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.72725 14.2251 8.66548 9.64573 6.94943 5.96303 numMergedOcc 0
2 mol 1 unq 0 iso 0 dist 6.86701 5.11735 5.96833 12.7486 7.27254 8.78328 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 5.8245 8.27962 9.71516 3.98483 7.05919 7.98363 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 5.8245 11.4878 9.81658 3.98483 7.05919 10.4204 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.12845 14.1424 9.06516 5.30734 6.38243 14.3325 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 9.12845 6.10146 9.96121 5.30734 6.38243 8.13684 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 6.24711 5.32981 7.08559 14.0576 9.58596 16.1649 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 6.24711 8.90278 8.63635 14.0576 9.58596 8.15141 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 5.94756 7.39653 5.81001 6.18811 7.72462 4.52443 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 9.97769 10.3598 8.13051 7.40296 6.87028 5.36808 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 9.32706 6.00578 8.13051 5.89202 6.87028 5.36808 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 9.08221 11.6697 8.13051 6.37648 6.87028 5.36808 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 7.06939 6.61299 9.39807 6.08245 6.9223 7.24263 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 7.06939 6.61299 9.39807 6.86728 7.0561 12.5937 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.10496 8.70415 6.61111 7.32662 8.75597 13.6622 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.10496 8.70415 6.61111 12.3881 9.18457 6.34014 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 9.64383 12.0058 4.44979 8.76845 6.83746 5.92812 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 9.64383 12.0058 4.44979 11.7715 9.14707 6.34014 numMergedOcc 0
19 mol 98 unq 4 iso 0 dist 5.92242 9.74284 6.61111 13.4985 8.75597 13.6622 numMergedOcc 0
20 mol 98 unq 5 iso 0 dist 5.92242 9.74284 6.61111 7.89505 9.18457 6.34014 numMergedOcc 0
21 mol 98 unq 6 iso 0 dist 7.54889 10.0962 4.44979 13.9572 6.83746 5.92812 numMergedOcc 0
22 mol 98 unq 7 iso 0 dist 7.54889 10.0962 4.44979 13.1975 9.14707 6.34014 numMergedOcc 0
23 mol 98 unq 8 iso 0 dist 5.2571 10.0962 6.61111 6.934 8.75597 13.6622 numMergedOcc 0
24 mol 98 unq 9 iso 0 dist 5.2571 10.0962 6.61111 13.1975 9.18457 6.34014 numMergedOcc 0
25 mol 98 unq 10 iso 0 dist 7.78931 11.2452 4.44979 14.5341 6.83746 5.92812 numMergedOcc 0
26 mol 98 unq 11 iso 0 dist 7.78931 11.2452 4.44979 15.9953 9.14707 6.34014 numMergedOcc 0
27 mol 98 unq 12 iso 0 dist 8.7497 11.2452 6.61111 7.17433 8.75597 13.6622 numMergedOcc 0
28 mol 98 unq 13 iso 0 dist 8.7497 11.2452 6.61111 15.9953 9.18457 6.34014 numMergedOcc 0
29 mol 112 unq 0 iso 0 dist 9.05166 6.35364 8.91262 12.6695 7.44041 9.06991 numMergedOcc 0
30 mol 114 unq 0 iso 0 dist 5.7144 6.95201 5.51885 5.6074 7.59156 4.69847 numMergedOcc 0
31 mol 119 unq 0 iso 0 dist 8.95212 10.3457 6.13374 13.52 9.57341 11.1324 numMergedOcc 0
32 mol 119 unq 1 iso 0 dist 8.95212 16.7975 9.08536 13.52 9.57341 8.96522 numMergedOcc 0
33 mol 119 unq 2 iso 0 dist 6.99446 6.35763 6.13374 4.99056 9.57341 11.1324 numMergedOcc 0
34 mol 119 unq 3 iso 0 dist 6.99446 7.36192 9.08536 4.99056 9.57341 8.96522 numMergedOcc 0
35 mol 119 unq 4 iso 0 dist 7.64052 10.0197 6.13374 3.78311 9.57341 11.1324 numMergedOcc 0
36 mol 119 unq 5 iso 0 dist 7.64052 10.6679 9.08536 3.78311 9.57341 8.96522 numMergedOcc 0
37 mol 134 unq 0 iso 0 dist 6.42772 5.31077 6.44575 11.7434 6.99345 8.05714 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 9.33094 5.3585 7.43401 9.4027 5.11043 8.05714 numMergedOcc 0
39 mol 134 unq 2 iso 0 dist 9.1998 6.74887 6.44575 5.12325 6.99345 8.05714 numMergedOcc 0
40 mol 134 unq 3 iso 0 dist 8.69531 6.74887 7.43401 5.12325 5.11043 8.05714 numMergedOcc 0
41 mol 134 unq 4 iso 0 dist 5.35237 8.96357 6.57379 6.02179 8.48313 13.6926 numMergedOcc 0
42 mol 134 unq 5 iso 0 dist 8.70621 10.9715 6.44575 6.02179 6.99345 8.05714 numMergedOcc 0
43 mol 134 unq 6 iso 0 dist 7.99477 5.9915 6.57379 10.9332 8.48313 13.6926 numMergedOcc 0
44 mol 143 unq 0 iso 0 dist 5.40637 5.44503 7.46803 10.8441 8.68663 7.12863 numMergedOcc 0
45 mol 184 unq 0 iso 0 dist 6.73504 6.47974 7.59939 5.16512 7.32888 4.05428 numMergedOcc 0
46 mol 224 unq 0 iso 0 dist 8.08349 10.7113 5.73591 4.59567 8.54702 8.5129 numMergedOcc 0
47 mol 224 unq 1 iso 0 dist 8.08349 11.4491 8.55345 4.59567 8.54702 7.96876 numMergedOcc 0
48 mol 224 unq 2 iso 0 dist 9.78218 11.4252 5.73591 9.48743 8.54702 8.5129 numMergedOcc 0
49 mol 224 unq 3 iso 0 dist 9.78218 9.14568 8.55345 9.48743 8.54702 7.96876 numMergedOcc 0
50 mol 225 unq 0 iso 0 dist 8.1945 10.7506 8.91356 17.0241 9.57955 16.9887 numMergedOcc 0
51 mol 225 unq 1 iso 0 dist 8.1945 10.7506 8.91356 16.6392 9.87668 8.99405 numMergedOcc 0
52 mol 225 unq 2 iso 0 dist 8.1945 7.12954 9.59574 17.0241 9.57955 15.7166 numMergedOcc 0
53 mol 225 unq 3 iso 0 dist 8.1945 7.12954 9.59574 16.6392 9.87668 18.6744 numMergedOcc 0
54 mol 225 unq 4 iso 0 dist 6.50998 8.69249 8.91356 10.6484 9.57955 16.9887 numMergedOcc 0
55 mol 225 unq 5 iso 0 dist 6.50998 8.69249 8.91356 4.76151 9.87668 8.99405 numMergedOcc 0
56 mol 225 unq 6 iso 0 dist 6.50998 14.2819 9.59574 10.6484 9.57955 15.7166 numMergedOcc 0
57 mol 225 unq 7 iso 0 dist 6.50998 14.2819 9.59574 4.76151 9.87668 18.6744 numMergedOcc 0
58 mol 234 unq 0 iso 0 dist 7.81215 5.56749 9.11572 11.113 9.08151 8.16702 numMergedOcc 0
59 mol 234 unq 1 iso 0 dist 7.81215 15.015 9.49229 11.113 9.08151 9.70708 numMergedOcc 0
60 mol 234 unq 2 iso 0 dist 7.81215 12.1076 7.20293 11.113 9.08151 11.7632 numMergedOcc 0
61 mol 234 unq 3 iso 0 dist 5.64285 8.0608 9.11572 5.52595 9.08151 8.16702 numMergedOcc 0
62 mol 234 unq 4 iso 0 dist 5.64285 5.34613 9.49229 5.52595 9.08151 9.70708 numMergedOcc 0
63 mol 234 unq 5 iso 0 dist 5.64285 6.29366 7.20293 5.52595 9.08151 11.7632 numMergedOcc 0
64 mol 238 unq 0 iso 0 dist 9.12776 8.82861 9.84652 11.0349 6.53286 5.88491 numMergedOcc 0
65 mol 238 unq 1 iso 0 dist 9.72188 15.5674 9.84652 10.7551 6.53286 5.88491 numMergedOcc 0
66 mol 267 unq 0 iso 0 dist 8.8293 7.11419 5.08174 6.74922 7.60505 9.7551 numMergedOcc 0
67 mol 267 unq 1 iso 0 dist 7.34981 6.45566 5.08174 9.163 7.60505 9.7551 numMergedOcc 0
68 mol 273 unq 0 iso 0 dist 6.31969 7.00883 9.06937 5.9476 5.4307 12.0694 numMergedOcc 0
69 mol 279 unq 0 iso 0 dist 6.35028 5.14235 8.92667 6.15987 5.81528 8.12656 numMergedOcc 0
70 mol 279 unq 1 iso 0 dist 6.35028 7.69081 6.0283 6.15987 5.81528 4.66909 numMergedOcc 0
71 mol 284 unq 0 iso 0 dist 9.19921 9.71439 9.69262 10.8266 8.63754 11.0091 numMergedOcc 0
72 mol 284 unq 1 iso 0 dist 6.41303 5.21666 9.69262 8.63375 8.63754 11.0091 numMergedOcc 0
73 mol 292 unq 0 iso 0 dist 9.46442 12.1551 5.84792 9.84292 9.2558 6.67435 numMergedOcc 0
74 mol 292 unq 1 iso 0 dist 9.9182 9.98079 9.08193 16.2289 9.84946 8.27109 numMergedOcc 0
75 mol 292 unq 2 iso 0 dist 9.9182 18.0293 8.73515 16.2289 9.84946 6.67435 numMergedOcc 0
76 mol 292 unq 3 iso 0 dist 7.30758 5.07048 9.08193 9.84292 9.84946 8.27109 numMergedOcc 0
77 mol 292 unq 4 iso 0 dist 7.30758 12.1551 8.73515 9.84292 9.84946 6.67435 numMergedOcc 0
78 mol 292 unq 5 iso 0 dist 9.10788 10.0311 9.08193 8.96137 9.84946 8.27109 numMergedOcc 0
79 mol 292 unq 6 iso 0 dist 9.10788 10.8709 8.73515 8.96137 9.84946 6.67435 numMergedOcc 0
