0 mol 8 unq 0 iso 0 dist 8.76702 6.27477 8.02605 8.23769 8.80082 11.0277 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 6.27477 8.76702 8.02605 8.23769 11.0277 8.80082 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.04193 7.15486 7.5247 5.99959 9.95096 5.11205 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 7.15486 7.04193 7.5247 5.99959 5.11205 9.95096 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.04193 8.52969 11.6716 5.99959 9.95096 6.75888 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 8.52969 7.04193 11.6716 5.99959 6.75888 9.95096 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 7.15486 8.52969 10.6169 5.99959 5.11205 6.75888 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 8.52969 7.15486 10.6169 5.99959 6.75888 5.11205 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 6.89185 7.97217 4.62896 5.86276 5.22036 5.7835 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 7.97217 6.89185 4.62896 5.86276 5.7835 5.22036 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 7.80757 5.5849 7.19663 8.16546 4.92509 5.22036 numMergedOcc 0
11 mol 78 unq 1 iso 1 dist 5.5849 7.80757 7.19663 8.16546 5.22036 4.92509 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 9.64856 6.38977 7.50824 8.78173 5.47714 8.94456 numMergedOcc 0
13 mol 131 unq 0 iso 1 dist 6.38977 9.64856 7.50824 8.78173 8.94456 5.47714 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 9.64856 9.69757 11.0599 8.78173 5.47714 14.0333 numMergedOcc 0
15 mol 131 unq 1 iso 1 dist 9.69757 9.64856 11.0599 8.78173 14.0333 5.47714 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 6.38977 9.69757 5.55373 8.78173 8.94456 14.0333 numMergedOcc 0
17 mol 131 unq 1 iso 1 dist 9.69757 6.38977 5.55373 8.78173 14.0333 8.94456 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 9.0339 8.48641 4.35917 8.2746 10.7352 7.99849 numMergedOcc 0
19 mol 132 unq 0 iso 1 dist 8.48641 9.0339 4.35917 8.2746 7.99849 10.7352 numMergedOcc 0
20 mol 132 unq 1 iso 0 dist 9.0339 6.23573 13.624 8.2746 10.7352 6.71037 numMergedOcc 0
21 mol 132 unq 1 iso 1 dist 6.23573 9.0339 13.624 8.2746 6.71037 10.7352 numMergedOcc 0
22 mol 132 unq 1 iso 0 dist 8.48641 6.23573 12.1165 8.2746 7.99849 6.71037 numMergedOcc 0
23 mol 132 unq 1 iso 1 dist 6.23573 8.48641 12.1165 8.2746 6.71037 7.99849 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 4.93035 9.75558 6.21253 9.82638 7.57216 12.6352 numMergedOcc 0
25 mol 141 unq 0 iso 1 dist 9.75558 4.93035 6.21253 9.82638 12.6352 7.57216 numMergedOcc 0
26 mol 148 unq 0 iso 0 dist 9.7168 7.38138 8.05787 9.69869 11.6053 12.2257 numMergedOcc 0
27 mol 148 unq 0 iso 1 dist 7.38138 9.7168 8.05787 9.69869 12.2257 11.6053 numMergedOcc 0
28 mol 148 unq 1 iso 0 dist 9.7168 7.38138 8.05787 4.7785 6.84291 6.29254 numMergedOcc 0
29 mol 148 unq 1 iso 1 dist 7.38138 9.7168 8.05787 4.7785 6.29254 6.84291 numMergedOcc 0
30 mol 150 unq 0 iso 0 dist 9.61132 7.34423 8.10457 9.67177 11.5258 12.1369 numMergedOcc 0
31 mol 150 unq 0 iso 1 dist 7.34423 9.61132 8.10457 9.67177 12.1369 11.5258 numMergedOcc 0
32 mol 150 unq 1 iso 0 dist 9.61132 7.34423 8.10457 4.79493 6.79619 6.25747 numMergedOcc 0
33 mol 150 unq 1 iso 1 dist 7.34423 9.61132 8.10457 4.79493 6.25747 6.79619 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 7.39961 7.80643 5.76755 9.89595 9.30783 7.29758 numMergedOcc 0
35 mol 156 unq 0 iso 1 dist 7.80643 7.39961 5.76755 9.89595 7.29758 9.30783 numMergedOcc 0
36 mol 197 unq 0 iso 0 dist 6.22696 8.12158 6.75702 9.49122 5.2908 10.5397 numMergedOcc 0
37 mol 197 unq 0 iso 1 dist 8.12158 6.22696 6.75702 9.49122 10.5397 5.2908 numMergedOcc 0
38 mol 213 unq 0 iso 0 dist 9.40939 9.06306 11.2306 7.67499 11.2214 11.1059 numMergedOcc 0
39 mol 213 unq 0 iso 1 dist 9.06306 9.40939 11.2306 7.67499 11.1059 11.2214 numMergedOcc 0
40 mol 213 unq 1 iso 0 dist 8.10356 6.77104 11.3915 6.91442 7.28105 4.93472 numMergedOcc 0
41 mol 213 unq 1 iso 1 dist 6.77104 8.10356 11.3915 6.91442 4.93472 7.28105 numMergedOcc 0
42 mol 218 unq 0 iso 0 dist 5.52981 6.22077 7.83217 8.39955 4.54272 6.8949 numMergedOcc 0
43 mol 218 unq 0 iso 1 dist 6.22077 5.52981 7.83217 8.39955 6.8949 4.54272 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 9.82174 9.2521 14.0328 6.54661 6.20606 10.4664 numMergedOcc 0
45 mol 238 unq 0 iso 1 dist 9.2521 9.82174 14.0328 6.54661 10.4664 6.20606 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 9.82174 9.2521 14.0328 8.97261 12.5773 11.2717 numMergedOcc 0
47 mol 238 unq 1 iso 1 dist 9.2521 9.82174 14.0328 8.97261 11.2717 12.5773 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 9.82174 8.51359 15.8898 6.54661 6.20606 13.3539 numMergedOcc 0
49 mol 238 unq 2 iso 1 dist 8.51359 9.82174 15.8898 6.54661 13.3539 6.20606 numMergedOcc 0
50 mol 238 unq 3 iso 0 dist 9.82174 8.51359 15.8898 8.97261 12.5773 14.7509 numMergedOcc 0
51 mol 238 unq 3 iso 1 dist 8.51359 9.82174 15.8898 8.97261 14.7509 12.5773 numMergedOcc 0
52 mol 238 unq 4 iso 0 dist 7.2527 7.13194 10.0191 5.3853 5.11565 11.0401 numMergedOcc 0
53 mol 238 unq 4 iso 1 dist 7.13194 7.2527 10.0191 5.3853 11.0401 5.11565 numMergedOcc 0
54 mol 238 unq 2 iso 0 dist 9.2521 8.51359 6.85126 6.54661 10.4664 13.3539 numMergedOcc 0
55 mol 238 unq 2 iso 1 dist 8.51359 9.2521 6.85126 6.54661 13.3539 10.4664 numMergedOcc 0
56 mol 238 unq 3 iso 0 dist 9.2521 8.51359 6.85126 8.97261 11.2717 14.7509 numMergedOcc 0
57 mol 238 unq 3 iso 1 dist 8.51359 9.2521 6.85126 8.97261 14.7509 11.2717 numMergedOcc 0
58 mol 271 unq 0 iso 0 dist 9.04738 8.68046 9.81725 9.39803 9.94943 5.93024 numMergedOcc 0
59 mol 271 unq 0 iso 1 dist 8.68046 9.04738 9.81725 9.39803 5.93024 9.94943 numMergedOcc 0
60 mol 271 unq 1 iso 0 dist 9.04738 5.98336 10.2122 9.39803 9.94943 11.1225 numMergedOcc 0
61 mol 271 unq 1 iso 1 dist 5.98336 9.04738 10.2122 9.39803 11.1225 9.94943 numMergedOcc 0
62 mol 271 unq 2 iso 0 dist 9.04738 9.67453 16.9733 9.39803 9.94943 10.6293 numMergedOcc 0
63 mol 271 unq 2 iso 1 dist 9.67453 9.04738 16.9733 9.39803 10.6293 9.94943 numMergedOcc 0
64 mol 271 unq 1 iso 0 dist 8.68046 5.98336 6.8467 9.39803 5.93024 11.1225 numMergedOcc 0
65 mol 271 unq 1 iso 1 dist 5.98336 8.68046 6.8467 9.39803 11.1225 5.93024 numMergedOcc 0
66 mol 271 unq 2 iso 0 dist 8.68046 9.67453 9.98968 9.39803 5.93024 10.6293 numMergedOcc 0
67 mol 271 unq 2 iso 1 dist 9.67453 8.68046 9.98968 9.39803 10.6293 5.93024 numMergedOcc 0
68 mol 271 unq 2 iso 0 dist 5.98336 9.67453 10.5503 9.39803 11.1225 10.6293 numMergedOcc 0
69 mol 271 unq 2 iso 1 dist 9.67453 5.98336 10.5503 9.39803 10.6293 11.1225 numMergedOcc 0
70 mol 276 unq 0 iso 0 dist 7.11272 6.24808 8.84158 7.3327 6.4102 10.2953 numMergedOcc 0
71 mol 276 unq 0 iso 1 dist 6.24808 7.11272 8.84158 7.3327 10.2953 6.4102 numMergedOcc 0
