0 mol 34 unq 0 iso 0 dist 9.25424 6.45654 8.0991 7.69101 4.74094 9.95093 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 7.69101 6.45654 9.95093 9.25424 4.74094 8.0991 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 9.57665 7.35043 9.95093 10.1225 4.74094 8.0991 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.02387 4.70231 5.7836 12.6638 11.3632 8.12997 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.02387 4.70231 5.7836 10.8091 8.33924 6.13153 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 7.02387 4.70231 5.7836 9.22549 8.83572 7.32996 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 7.02387 4.70231 5.7836 8.92898 10.0905 5.89173 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 8.92898 4.70231 5.89173 12.6638 5.91538 8.12997 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 8.92898 4.70231 5.89173 10.8091 6.91279 6.13153 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 8.92898 4.70231 5.89173 7.02387 10.0905 5.7836 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 8.92898 4.70231 5.89173 9.22549 4.6034 7.32996 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 8.44353 12.8187 7.20729 17.0665 8.75789 7.84895 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 8.44353 12.8187 7.20729 16.5552 8.74768 5.8541 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 8.44353 12.8187 7.20729 12.4901 8.79085 5.82264 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 8.44353 12.8187 7.20729 12.0135 4.52343 5.72703 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 4.74786 8.13678 5.7836 15.0976 11.3632 8.12997 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 4.74786 8.13678 5.7836 12.5436 8.33924 6.13153 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 4.74786 8.13678 5.7836 10.0563 8.83572 7.32996 numMergedOcc 0
18 mol 48 unq 15 iso 0 dist 4.74786 8.13678 5.7836 12.1265 10.0905 5.89173 numMergedOcc 0
19 mol 48 unq 16 iso 0 dist 7.16443 12.9941 7.11491 15.6912 8.66712 6.28603 numMergedOcc 0
20 mol 48 unq 17 iso 0 dist 7.16443 12.9941 7.11491 16.0943 9.07711 8.80303 numMergedOcc 0
21 mol 48 unq 18 iso 0 dist 4.53565 8.24402 5.82264 15.0824 11.4886 7.84895 numMergedOcc 0
22 mol 48 unq 19 iso 0 dist 4.53565 8.24402 5.82264 12.4892 8.45701 5.8541 numMergedOcc 0
23 mol 48 unq 20 iso 0 dist 4.53565 8.24402 5.82264 10.088 8.79085 7.20729 numMergedOcc 0
24 mol 48 unq 21 iso 0 dist 4.53565 8.24402 5.82264 12.1231 10.0122 5.72703 numMergedOcc 0
25 mol 48 unq 22 iso 0 dist 4.53565 4.40229 8.56365 8.53722 9.94041 7.47783 numMergedOcc 0
26 mol 48 unq 23 iso 0 dist 4.53565 4.40229 8.56365 6.15814 5.553 8.74151 numMergedOcc 0
27 mol 48 unq 24 iso 0 dist 4.53565 4.40229 8.56365 7.70284 8.14415 8.69662 numMergedOcc 0
28 mol 48 unq 25 iso 0 dist 8.53722 12.7671 7.32996 17.1858 8.81168 8.12997 numMergedOcc 0
29 mol 48 unq 26 iso 0 dist 8.53722 12.7671 7.32996 16.7421 8.88086 6.13153 numMergedOcc 0
30 mol 48 unq 27 iso 0 dist 8.53722 12.7671 7.32996 12.7501 8.83572 5.7836 numMergedOcc 0
31 mol 48 unq 28 iso 0 dist 8.53722 12.7671 7.32996 11.9516 4.6034 5.89173 numMergedOcc 0
32 mol 48 unq 29 iso 0 dist 8.53722 4.40229 7.47783 4.53565 9.94041 8.56365 numMergedOcc 0
33 mol 48 unq 30 iso 0 dist 8.53722 4.40229 7.47783 6.15814 6.96103 8.74151 numMergedOcc 0
34 mol 48 unq 31 iso 0 dist 8.53722 4.40229 7.47783 7.70284 4.54874 8.69662 numMergedOcc 0
35 mol 48 unq 32 iso 0 dist 6.15814 4.40229 8.74151 4.53565 5.553 8.56365 numMergedOcc 0
36 mol 48 unq 33 iso 0 dist 6.15814 4.40229 8.74151 8.53722 6.96103 7.47783 numMergedOcc 0
37 mol 48 unq 34 iso 0 dist 6.15814 4.40229 8.74151 7.70284 3.18526 8.69662 numMergedOcc 0
38 mol 48 unq 35 iso 0 dist 7.70284 4.40229 8.69662 4.53565 8.14415 8.56365 numMergedOcc 0
39 mol 48 unq 36 iso 0 dist 7.70284 4.40229 8.69662 8.53722 4.54874 7.47783 numMergedOcc 0
40 mol 48 unq 37 iso 0 dist 7.70284 4.40229 8.69662 6.15814 3.18526 8.74151 numMergedOcc 0
41 mol 48 unq 38 iso 0 dist 7.08628 13.0328 7.1829 15.636 8.61401 5.73454 numMergedOcc 0
42 mol 48 unq 39 iso 0 dist 7.08628 13.0328 7.1829 16.1395 9.16142 8.2012 numMergedOcc 0
43 mol 79 unq 0 iso 0 dist 9.11491 7.82761 8.33791 12.3393 5.63083 7.38548 numMergedOcc 0
44 mol 79 unq 1 iso 0 dist 9.11491 7.82761 8.33791 10.765 7.01314 8.2992 numMergedOcc 0
45 mol 79 unq 2 iso 0 dist 9.11491 7.82761 8.33791 14.294 11.179 6.72546 numMergedOcc 0
46 mol 79 unq 3 iso 0 dist 7.90338 4.52595 7.56495 7.08462 5.30569 7.63923 numMergedOcc 0
47 mol 79 unq 4 iso 0 dist 7.90338 4.52595 7.56495 11.6525 7.28768 8.23095 numMergedOcc 0
48 mol 79 unq 5 iso 0 dist 5.82384 8.45612 7.38548 10.1163 5.63083 8.33791 numMergedOcc 0
49 mol 79 unq 6 iso 0 dist 5.82384 8.45612 7.38548 13.4836 8.44801 8.2992 numMergedOcc 0
50 mol 79 unq 7 iso 0 dist 5.82384 8.45612 7.38548 8.58021 7.13643 6.72546 numMergedOcc 0
51 mol 79 unq 8 iso 0 dist 7.08462 4.52595 7.63923 7.90338 5.30569 7.56495 numMergedOcc 0
52 mol 79 unq 9 iso 0 dist 7.08462 4.52595 7.63923 11.6525 8.91283 8.23095 numMergedOcc 0
53 mol 79 unq 10 iso 0 dist 7.15907 4.58851 7.38548 8.90324 5.63083 8.33791 numMergedOcc 0
54 mol 79 unq 11 iso 0 dist 7.15907 4.58851 7.38548 11.7529 8.44801 8.2992 numMergedOcc 0
55 mol 79 unq 12 iso 0 dist 7.15907 4.58851 7.38548 8.78124 7.13643 6.72546 numMergedOcc 0
56 mol 85 unq 0 iso 0 dist 5.61151 5.75469 9.13593 6.54289 2.58673 8.25144 numMergedOcc 0
57 mol 85 unq 1 iso 0 dist 6.54289 5.75469 8.25144 5.61151 2.58673 9.13593 numMergedOcc 0
58 mol 85 unq 2 iso 0 dist 7.52869 7.66862 8.25144 9.18895 2.58673 9.13593 numMergedOcc 0
59 mol 85 unq 3 iso 0 dist 9.18945 11.7978 8.25144 9.58605 2.58673 9.13593 numMergedOcc 0
60 mol 123 unq 0 iso 0 dist 8.53618 12.1983 7.30244 17.1707 8.77423 9.42762 numMergedOcc 0
61 mol 135 unq 0 iso 0 dist 9.94534 11.52 7.02963 17.8417 14.3156 8.72359 numMergedOcc 0
62 mol 147 unq 0 iso 0 dist 9.23589 4.42975 9.59327 9.22196 3.6066 8.51399 numMergedOcc 0
63 mol 147 unq 1 iso 0 dist 9.22196 4.42975 8.51399 9.23589 3.6066 9.59327 numMergedOcc 0
64 mol 205 unq 0 iso 0 dist 9.81165 10.5686 6.81516 7.74029 10.1158 9.17562 numMergedOcc 0
65 mol 205 unq 1 iso 0 dist 7.74029 10.5686 9.17562 9.81165 10.1158 6.81516 numMergedOcc 0
66 mol 214 unq 0 iso 0 dist 7.72298 10.8576 8.41013 14.0046 10.5332 5.05626 numMergedOcc 0
67 mol 260 unq 0 iso 0 dist 5.30187 4.73121 4.52405 10.0128 8.11213 6.49413 numMergedOcc 0
68 mol 260 unq 1 iso 0 dist 5.30187 4.73121 4.52405 10.853 8.76827 6.12343 numMergedOcc 0
69 mol 278 unq 0 iso 0 dist 9.94661 11.3687 8.1769 10.6403 4.88683 7.1656 numMergedOcc 0
70 mol 281 unq 0 iso 0 dist 9.94612 14.9634 6.18742 12.0277 3.77058 6.8089 numMergedOcc 0
71 mol 285 unq 0 iso 0 dist 6.01404 4.39689 8.79261 9.14377 4.87372 9.99125 numMergedOcc 0
