0 mol 7 unq 0 iso 0 dist 6.02702 11.8172 8.72114 15.9584 9.97624 10.515 6.55304 6.14469 6.34041 13.0969 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.72114 11.8172 6.02702 10.515 9.97624 15.9584 6.34041 6.14469 6.55304 13.0969 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.42748 11.7498 7.48342 6.67334 6.50647 6.29685 10.1154 6.03257 4.29582 6.19131 numMergedOcc 0
3 mol 15 unq 0 iso 1 dist 7.48342 11.7498 6.42748 6.29685 6.50647 6.67334 4.29582 6.03257 10.1154 6.19131 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.40416 7.67038 7.75618 6.74265 7.02548 5.5841 4.64838 9.95212 4.97119 5.90856 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 7.75618 7.67038 8.40416 5.5841 7.02548 6.74265 4.97119 9.95212 4.64838 5.90856 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 6.41575 5.80928 6.41423 5.14627 5.82366 4.69858 9.74255 9.95212 7.08342 11.4087 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.41423 5.80928 6.41575 4.69858 5.82366 5.14627 7.08342 9.95212 9.74255 11.4087 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 6.46104 7.96502 7.36856 11.0099 7.3022 4.74747 7.23703 6.93197 5.81765 6.78223 numMergedOcc 0
9 mol 26 unq 0 iso 1 dist 7.36856 7.96502 6.46104 4.74747 7.3022 11.0099 5.81765 6.93197 7.23703 6.78223 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 6.7117 8.40073 4.47349 8.70415 6.0129 10.0962 7.94178 7.36769 9.85543 10.2677 numMergedOcc 0
11 mol 98 unq 0 iso 1 dist 4.47349 8.40073 6.7117 10.0962 6.0129 8.70415 9.85543 7.36769 7.94178 10.2677 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 6.7117 8.40073 4.47349 8.70415 6.0129 10.0962 4.4057 6.88901 9.67482 5.71029 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 4.47349 8.40073 6.7117 10.0962 6.0129 8.70415 9.67482 6.88901 4.4057 5.71029 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 6.7117 10.2427 5.65185 8.70415 6.0129 11.2452 7.94178 7.36769 7.28361 10.2677 numMergedOcc 0
15 mol 98 unq 2 iso 1 dist 5.65185 10.2427 6.7117 11.2452 6.0129 8.70415 7.28361 7.36769 7.94178 10.2677 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 6.7117 10.2427 5.65185 8.70415 6.0129 11.2452 4.4057 6.88901 12.0974 5.71029 numMergedOcc 0
17 mol 98 unq 3 iso 1 dist 5.65185 10.2427 6.7117 11.2452 6.0129 8.70415 12.0974 6.88901 4.4057 5.71029 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 4.47349 5.02887 5.65185 10.0962 6.0129 11.2452 9.85543 7.36769 7.28361 10.2677 numMergedOcc 0
19 mol 98 unq 2 iso 1 dist 5.65185 5.02887 4.47349 11.2452 6.0129 10.0962 7.28361 7.36769 9.85543 10.2677 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 4.47349 5.02887 5.65185 10.0962 6.0129 11.2452 9.67482 6.88901 12.0974 5.71029 numMergedOcc 0
21 mol 98 unq 3 iso 1 dist 5.65185 5.02887 4.47349 11.2452 6.0129 10.0962 12.0974 6.88901 9.67482 5.71029 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 7.69991 5.00526 6.23142 6.69989 8.55616 5.3585 7.41674 6.40575 9.87376 10.6595 numMergedOcc 0
23 mol 134 unq 0 iso 1 dist 6.23142 5.00526 7.69991 5.3585 8.55616 6.69989 9.87376 6.40575 7.41674 10.6595 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 7.69991 5.00526 6.23142 10.1448 8.73604 5.41704 7.41674 6.40575 9.87376 14.1488 numMergedOcc 0
25 mol 134 unq 1 iso 1 dist 6.23142 5.00526 7.69991 5.41704 8.73604 10.1448 9.87376 6.40575 7.41674 14.1488 numMergedOcc 0
26 mol 134 unq 2 iso 0 dist 7.69991 11.3271 9.94764 6.69989 8.55616 6.74887 7.41674 6.40575 14.9876 10.6595 numMergedOcc 0
27 mol 134 unq 2 iso 1 dist 9.94764 11.3271 7.69991 6.74887 8.55616 6.69989 14.9876 6.40575 7.41674 10.6595 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 7.69991 11.3271 9.94764 10.1448 8.73604 6.17103 7.41674 6.40575 14.9876 14.1488 numMergedOcc 0
29 mol 134 unq 3 iso 1 dist 9.94764 11.3271 7.69991 6.17103 8.73604 10.1448 14.9876 6.40575 7.41674 14.1488 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 6.23142 6.81259 9.94764 5.3585 8.55616 6.74887 9.87376 6.40575 14.9876 10.6595 numMergedOcc 0
31 mol 134 unq 2 iso 1 dist 9.94764 6.81259 6.23142 6.74887 8.55616 5.3585 14.9876 6.40575 9.87376 10.6595 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 6.23142 6.81259 9.94764 5.41704 8.73604 6.17103 9.87376 6.40575 14.9876 14.1488 numMergedOcc 0
33 mol 134 unq 3 iso 1 dist 9.94764 6.81259 6.23142 6.17103 8.73604 5.41704 14.9876 6.40575 9.87376 14.1488 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 9.44367 5.56175 7.90267 7.29758 5.81122 8.67156 5.71511 8.37434 6.13574 5.05683 numMergedOcc 0
35 mol 156 unq 0 iso 1 dist 7.90267 5.56175 9.44367 8.67156 5.81122 7.29758 6.13574 8.37434 5.71511 5.05683 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 6.2479 6.01247 6.22122 6.25083 9.06217 10.5753 4.43096 7.32087 6.06566 10.6325 numMergedOcc 0
37 mol 181 unq 0 iso 1 dist 6.22122 6.01247 6.2479 10.5753 9.06217 6.25083 6.06566 7.32087 4.43096 10.6325 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 6.2479 6.01247 6.22122 6.25083 9.06217 10.5753 8.04639 8.86197 13.0409 8.15174 numMergedOcc 0
39 mol 181 unq 1 iso 1 dist 6.22122 6.01247 6.2479 10.5753 9.06217 6.25083 13.0409 8.86197 8.04639 8.15174 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 6.2479 6.01247 6.22122 4.77278 7.13252 5.88819 4.43096 7.32087 6.06566 8.45963 numMergedOcc 0
41 mol 181 unq 2 iso 1 dist 6.22122 6.01247 6.2479 5.88819 7.13252 4.77278 6.06566 7.32087 4.43096 8.45963 numMergedOcc 0
42 mol 181 unq 3 iso 0 dist 6.2479 6.01247 6.22122 4.77278 7.13252 5.88819 8.04639 8.86197 13.0409 11.047 numMergedOcc 0
43 mol 181 unq 3 iso 1 dist 6.22122 6.01247 6.2479 5.88819 7.13252 4.77278 13.0409 8.86197 8.04639 11.047 numMergedOcc 0
44 mol 181 unq 4 iso 0 dist 6.2479 8.88798 7.99195 6.25083 9.06217 5.86342 4.43096 7.32087 12.2164 10.6325 numMergedOcc 0
45 mol 181 unq 4 iso 1 dist 7.99195 8.88798 6.2479 5.86342 9.06217 6.25083 12.2164 7.32087 4.43096 10.6325 numMergedOcc 0
46 mol 181 unq 5 iso 0 dist 6.2479 8.88798 7.99195 6.25083 9.06217 5.86342 8.04639 8.86197 5.77299 8.15174 numMergedOcc 0
47 mol 181 unq 5 iso 1 dist 7.99195 8.88798 6.2479 5.86342 9.06217 6.25083 5.77299 8.86197 8.04639 8.15174 numMergedOcc 0
48 mol 181 unq 6 iso 0 dist 6.2479 8.88798 7.99195 4.77278 7.13252 9.14057 4.43096 7.32087 12.2164 8.45963 numMergedOcc 0
49 mol 181 unq 6 iso 1 dist 7.99195 8.88798 6.2479 9.14057 7.13252 4.77278 12.2164 7.32087 4.43096 8.45963 numMergedOcc 0
50 mol 181 unq 7 iso 0 dist 6.2479 8.88798 7.99195 4.77278 7.13252 9.14057 8.04639 8.86197 5.77299 11.047 numMergedOcc 0
51 mol 181 unq 7 iso 1 dist 7.99195 8.88798 6.2479 9.14057 7.13252 4.77278 5.77299 8.86197 8.04639 11.047 numMergedOcc 0
52 mol 181 unq 4 iso 0 dist 6.22122 12.6324 7.99195 10.5753 9.06217 5.86342 6.06566 7.32087 12.2164 10.6325 numMergedOcc 0
53 mol 181 unq 4 iso 1 dist 7.99195 12.6324 6.22122 5.86342 9.06217 10.5753 12.2164 7.32087 6.06566 10.6325 numMergedOcc 0
54 mol 181 unq 5 iso 0 dist 6.22122 12.6324 7.99195 10.5753 9.06217 5.86342 13.0409 8.86197 5.77299 8.15174 numMergedOcc 0
55 mol 181 unq 5 iso 1 dist 7.99195 12.6324 6.22122 5.86342 9.06217 10.5753 5.77299 8.86197 13.0409 8.15174 numMergedOcc 0
56 mol 181 unq 6 iso 0 dist 6.22122 12.6324 7.99195 5.88819 7.13252 9.14057 6.06566 7.32087 12.2164 8.45963 numMergedOcc 0
57 mol 181 unq 6 iso 1 dist 7.99195 12.6324 6.22122 9.14057 7.13252 5.88819 12.2164 7.32087 6.06566 8.45963 numMergedOcc 0
58 mol 181 unq 7 iso 0 dist 6.22122 12.6324 7.99195 5.88819 7.13252 9.14057 13.0409 8.86197 5.77299 11.047 numMergedOcc 0
59 mol 181 unq 7 iso 1 dist 7.99195 12.6324 6.22122 9.14057 7.13252 5.88819 5.77299 8.86197 13.0409 11.047 numMergedOcc 0
60 mol 232 unq 0 iso 0 dist 8.50102 6.56633 9.40808 8.78722 7.17337 13.5597 6.2188 9.78181 12.5452 5.12599 numMergedOcc 0
61 mol 232 unq 0 iso 1 dist 9.40808 6.56633 8.50102 13.5597 7.17337 8.78722 12.5452 9.78181 6.2188 5.12599 numMergedOcc 0
62 mol 232 unq 1 iso 0 dist 8.50102 6.56633 9.40808 8.78722 7.17337 13.5597 12.3508 9.8664 8.80479 16.1253 numMergedOcc 0
63 mol 232 unq 1 iso 1 dist 9.40808 6.56633 8.50102 13.5597 7.17337 8.78722 8.80479 9.8664 12.3508 16.1253 numMergedOcc 0
64 mol 238 unq 0 iso 0 dist 8.94014 5.6348 7.02333 10.8635 7.04753 5.68826 5.50308 5.92374 7.11984 9.71156 numMergedOcc 0
65 mol 238 unq 0 iso 1 dist 7.02333 5.6348 8.94014 5.68826 7.04753 10.8635 7.11984 5.92374 5.50308 9.71156 numMergedOcc 0
66 mol 238 unq 1 iso 0 dist 8.94014 8.87326 8.67864 10.8635 7.04753 4.87097 5.50308 5.92374 7.95232 9.71156 numMergedOcc 0
67 mol 238 unq 1 iso 1 dist 8.67864 8.87326 8.94014 4.87097 7.04753 10.8635 7.95232 5.92374 5.50308 9.71156 numMergedOcc 0
68 mol 238 unq 1 iso 0 dist 7.02333 5.31152 8.67864 5.68826 7.04753 4.87097 7.11984 5.92374 7.95232 9.71156 numMergedOcc 0
69 mol 238 unq 1 iso 1 dist 8.67864 5.31152 7.02333 4.87097 7.04753 5.68826 7.95232 5.92374 7.11984 9.71156 numMergedOcc 0
70 mol 271 unq 0 iso 0 dist 8.98576 7.04094 8.92636 6.78222 5.81266 6.20098 5.53238 5.92274 9.1619 4.51983 numMergedOcc 0
71 mol 271 unq 0 iso 1 dist 8.92636 7.04094 8.98576 6.20098 5.81266 6.78222 9.1619 5.92274 5.53238 4.51983 numMergedOcc 0
72 mol 273 unq 0 iso 0 dist 8.83865 5.96724 9.18157 4.89568 8.68913 5.14347 12.0136 7.16346 12.1851 13.9948 numMergedOcc 0
73 mol 273 unq 0 iso 1 dist 9.18157 5.96724 8.83865 5.14347 8.68913 4.89568 12.1851 7.16346 12.0136 13.9948 numMergedOcc 0
