0 mol 34 unq 0 iso 0 dist 8.55901 8.38156 10.4688 7.79336 10.3961 13.1232 numMergedOcc 0
1 mol 34 unq 0 iso 1 dist 8.55901 7.79336 10.3961 8.38156 10.4688 13.1232 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.55901 8.38156 10.4688 7.08559 7.52709 12.7516 numMergedOcc 0
3 mol 34 unq 1 iso 1 dist 8.55901 7.08559 7.52709 8.38156 10.4688 12.7516 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.55901 7.79336 10.3961 7.08559 7.52709 3.39994 numMergedOcc 0
5 mol 34 unq 1 iso 1 dist 8.55901 7.08559 7.52709 7.79336 10.3961 3.39994 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 9.03412 8.38156 5.60198 7.79336 9.85481 13.1232 numMergedOcc 0
7 mol 34 unq 2 iso 1 dist 9.03412 7.79336 9.85481 8.38156 5.60198 13.1232 numMergedOcc 0
8 mol 34 unq 3 iso 0 dist 9.03412 8.38156 5.60198 7.08559 10.3431 12.7516 numMergedOcc 0
9 mol 34 unq 3 iso 1 dist 9.03412 7.08559 10.3431 8.38156 5.60198 12.7516 numMergedOcc 0
10 mol 34 unq 3 iso 0 dist 9.03412 7.79336 9.85481 7.08559 10.3431 3.39994 numMergedOcc 0
11 mol 34 unq 3 iso 1 dist 9.03412 7.08559 10.3431 7.79336 9.85481 3.39994 numMergedOcc 0
12 mol 39 unq 0 iso 0 dist 8.43814 8.94353 3.82528 7.30265 10.9581 9.75478 numMergedOcc 0
13 mol 39 unq 0 iso 1 dist 8.43814 7.30265 10.9581 8.94353 3.82528 9.75478 numMergedOcc 0
14 mol 39 unq 1 iso 0 dist 8.16689 8.94353 6.18816 7.30265 6.18136 9.75478 numMergedOcc 0
15 mol 39 unq 1 iso 1 dist 8.16689 7.30265 6.18136 8.94353 6.18816 9.75478 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 8.80108 7.60018 10.7257 7.03126 11.0945 3.6461 numMergedOcc 0
17 mol 58 unq 0 iso 1 dist 8.80108 7.03126 11.0945 7.60018 10.7257 3.6461 numMergedOcc 0
18 mol 59 unq 0 iso 0 dist 6.90952 6.52887 8.83983 8.35444 6.61741 13.6068 numMergedOcc 0
19 mol 59 unq 0 iso 1 dist 6.90952 8.35444 6.61741 6.52887 8.83983 13.6068 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 9.19459 9.14817 9.88768 9.76686 12.9007 3.43675 numMergedOcc 0
21 mol 72 unq 0 iso 1 dist 9.19459 9.76686 12.9007 9.14817 9.88768 3.43675 numMergedOcc 0
22 mol 72 unq 1 iso 0 dist 9.19459 9.14817 9.88768 9.437 12.9235 5.75711 numMergedOcc 0
23 mol 72 unq 1 iso 1 dist 9.19459 9.437 12.9235 9.14817 9.88768 5.75711 numMergedOcc 0
24 mol 72 unq 1 iso 0 dist 9.19459 9.76686 12.9007 9.437 12.9235 5.26077 numMergedOcc 0
25 mol 72 unq 1 iso 1 dist 9.19459 9.437 12.9235 9.76686 12.9007 5.26077 numMergedOcc 0
26 mol 72 unq 2 iso 0 dist 9.19459 9.37102 5.11318 5.4605 6.74416 5.17981 numMergedOcc 0
27 mol 72 unq 2 iso 1 dist 9.19459 5.4605 6.74416 9.37102 5.11318 5.17981 numMergedOcc 0
28 mol 72 unq 3 iso 0 dist 9.19459 9.37102 5.11318 6.53824 10.7904 9.85358 numMergedOcc 0
29 mol 72 unq 3 iso 1 dist 9.19459 6.53824 10.7904 9.37102 5.11318 9.85358 numMergedOcc 0
30 mol 72 unq 3 iso 0 dist 9.19459 5.4605 6.74416 6.53824 10.7904 4.85556 numMergedOcc 0
31 mol 72 unq 3 iso 1 dist 9.19459 6.53824 10.7904 5.4605 6.74416 4.85556 numMergedOcc 0
32 mol 72 unq 4 iso 0 dist 8.59747 9.14817 12.6041 9.76686 15.1279 3.43675 numMergedOcc 0
33 mol 72 unq 4 iso 1 dist 8.59747 9.76686 15.1279 9.14817 12.6041 3.43675 numMergedOcc 0
34 mol 72 unq 5 iso 0 dist 8.59747 9.14817 12.6041 9.437 13.879 5.75711 numMergedOcc 0
35 mol 72 unq 5 iso 1 dist 8.59747 9.437 13.879 9.14817 12.6041 5.75711 numMergedOcc 0
36 mol 72 unq 5 iso 0 dist 8.59747 9.76686 15.1279 9.437 13.879 5.26077 numMergedOcc 0
37 mol 72 unq 5 iso 1 dist 8.59747 9.437 13.879 9.76686 15.1279 5.26077 numMergedOcc 0
38 mol 72 unq 6 iso 0 dist 8.59747 7.93683 5.11318 6.7272 6.74416 5.17981 numMergedOcc 0
39 mol 72 unq 6 iso 1 dist 8.59747 6.7272 6.74416 7.93683 5.11318 5.17981 numMergedOcc 0
40 mol 72 unq 7 iso 0 dist 8.59747 7.93683 5.11318 7.64009 5.63793 5.56281 numMergedOcc 0
41 mol 72 unq 7 iso 1 dist 8.59747 7.64009 5.63793 7.93683 5.11318 5.56281 numMergedOcc 0
42 mol 72 unq 7 iso 0 dist 8.59747 6.7272 6.74416 7.64009 5.63793 9.20237 numMergedOcc 0
43 mol 72 unq 7 iso 1 dist 8.59747 7.64009 5.63793 6.7272 6.74416 9.20237 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 6.4218 5.73203 5.58312 6.57379 9.61537 4.87973 numMergedOcc 0
45 mol 134 unq 0 iso 1 dist 6.4218 6.57379 9.61537 5.73203 5.58312 4.87973 numMergedOcc 0
46 mol 135 unq 0 iso 0 dist 9.1005 9.09753 7.17391 7.6337 6.06659 3.61409 numMergedOcc 0
47 mol 135 unq 0 iso 1 dist 9.1005 7.6337 6.06659 9.09753 7.17391 3.61409 numMergedOcc 0
48 mol 173 unq 0 iso 0 dist 9.79554 8.62366 12.9142 9.44973 12.5859 6.03503 numMergedOcc 0
49 mol 173 unq 0 iso 1 dist 9.79554 9.44973 12.5859 8.62366 12.9142 6.03503 numMergedOcc 0
50 mol 173 unq 1 iso 0 dist 9.79554 8.62366 12.9142 6.52508 14.5434 7.19559 numMergedOcc 0
51 mol 173 unq 1 iso 1 dist 9.79554 6.52508 14.5434 8.62366 12.9142 7.19559 numMergedOcc 0
52 mol 173 unq 1 iso 0 dist 9.79554 9.44973 12.5859 6.52508 14.5434 6.51246 numMergedOcc 0
53 mol 173 unq 1 iso 1 dist 9.79554 6.52508 14.5434 9.44973 12.5859 6.51246 numMergedOcc 0
54 mol 225 unq 0 iso 0 dist 8.75834 8.91356 3.92979 9.57455 9.35263 9.9109 numMergedOcc 0
55 mol 225 unq 0 iso 1 dist 8.75834 9.57455 9.35263 8.91356 3.92979 9.9109 numMergedOcc 0
56 mol 225 unq 1 iso 0 dist 7.51827 8.91356 13.317 9.57455 8.90754 9.9109 numMergedOcc 0
57 mol 225 unq 1 iso 1 dist 7.51827 9.57455 8.90754 8.91356 13.317 9.9109 numMergedOcc 0
58 mol 228 unq 0 iso 0 dist 7.46689 8.6457 10.2762 8.8055 5.65339 6.06098 numMergedOcc 0
59 mol 228 unq 0 iso 1 dist 7.46689 8.8055 5.65339 8.6457 10.2762 6.06098 numMergedOcc 0
60 mol 228 unq 1 iso 0 dist 7.09766 8.66946 10.268 8.55761 5.73271 5.90992 numMergedOcc 0
61 mol 228 unq 1 iso 1 dist 7.09766 8.55761 5.73271 8.66946 10.268 5.90992 numMergedOcc 0
62 mol 233 unq 0 iso 0 dist 9.2911 8.24424 9.35904 7.0942 5.88701 3.55463 numMergedOcc 0
63 mol 233 unq 0 iso 1 dist 9.2911 7.0942 5.88701 8.24424 9.35904 3.55463 numMergedOcc 0
64 mol 233 unq 1 iso 0 dist 9.2911 8.24424 9.35904 6.01775 9.59241 8.23358 numMergedOcc 0
65 mol 233 unq 1 iso 1 dist 9.2911 6.01775 9.59241 8.24424 9.35904 8.23358 numMergedOcc 0
66 mol 233 unq 1 iso 0 dist 9.2911 7.0942 5.88701 6.01775 9.59241 6.91967 numMergedOcc 0
67 mol 233 unq 1 iso 1 dist 9.2911 6.01775 9.59241 7.0942 5.88701 6.91967 numMergedOcc 0
68 mol 234 unq 0 iso 0 dist 8.49841 8.27411 6.00588 6.96257 14.8966 15.1017 numMergedOcc 0
69 mol 234 unq 0 iso 1 dist 8.49841 6.96257 14.8966 8.27411 6.00588 15.1017 numMergedOcc 0
70 mol 234 unq 1 iso 0 dist 9.6101 8.27411 13.9373 6.96257 10.72 15.1017 numMergedOcc 0
71 mol 234 unq 1 iso 1 dist 9.6101 6.96257 10.72 8.27411 13.9373 15.1017 numMergedOcc 0
72 mol 238 unq 0 iso 0 dist 6.17025 5.43613 4.02449 7.24334 9.79637 11.1752 numMergedOcc 0
73 mol 238 unq 0 iso 1 dist 6.17025 7.24334 9.79637 5.43613 4.02449 11.1752 numMergedOcc 0
74 mol 238 unq 1 iso 0 dist 9.0378 9.82327 5.70572 7.06768 4.02449 3.46869 numMergedOcc 0
75 mol 238 unq 1 iso 1 dist 9.0378 7.06768 4.02449 9.82327 5.70572 3.46869 numMergedOcc 0
76 mol 238 unq 2 iso 0 dist 9.0378 9.82327 5.70572 9.08687 6.29757 9.64248 numMergedOcc 0
77 mol 238 unq 2 iso 1 dist 9.0378 9.08687 6.29757 9.82327 5.70572 9.64248 numMergedOcc 0
78 mol 238 unq 2 iso 0 dist 9.0378 7.06768 4.02449 9.08687 6.29757 8.33582 numMergedOcc 0
79 mol 238 unq 2 iso 1 dist 9.0378 9.08687 6.29757 7.06768 4.02449 8.33582 numMergedOcc 0
80 mol 254 unq 0 iso 0 dist 6.03988 9.66641 5.91806 9.26575 5.04088 3.42946 numMergedOcc 0
81 mol 254 unq 0 iso 1 dist 6.03988 9.26575 5.04088 9.66641 5.91806 3.42946 numMergedOcc 0
82 mol 270 unq 0 iso 0 dist 8.39167 9.51462 7.66392 8.12971 4.66212 6.94419 numMergedOcc 0
83 mol 270 unq 0 iso 1 dist 8.39167 8.12971 4.66212 9.51462 7.66392 6.94419 numMergedOcc 0
84 mol 270 unq 1 iso 0 dist 9.17227 9.51462 3.98629 8.12971 8.41656 6.94419 numMergedOcc 0
85 mol 270 unq 1 iso 1 dist 9.17227 8.12971 8.41656 9.51462 3.98629 6.94419 numMergedOcc 0
86 mol 272 unq 0 iso 0 dist 6.75716 8.84523 10.2399 6.95241 3.9539 9.5745 numMergedOcc 0
87 mol 272 unq 0 iso 1 dist 6.75716 6.95241 3.9539 8.84523 10.2399 9.5745 numMergedOcc 0
