0 mol 7 unq 0 iso 0 dist 6.7985 8.43473 6.14469 13.2603 13.0969 9.97624 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.68596 5.03847 6.14469 6.36911 13.0969 9.97624 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.32257 8.50424 7.35972 12.7944 13.9252 9.57198 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.55811 6.02809 7.35972 14.4698 13.9252 9.57198 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 8.64915 4.98827 7.35972 14.4218 13.9252 9.57198 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 7.36018 6.02809 9.93542 14.4698 18.4167 9.57198 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 8.17347 4.98827 9.93542 14.4218 18.4167 9.57198 numMergedOcc 0
7 mol 11 unq 0 iso 0 dist 5.96346 10.7734 7.98326 10.0658 8.17605 9.09091 numMergedOcc 0
8 mol 11 unq 1 iso 0 dist 6.35398 10.9183 7.98326 9.53002 7.5901 8.73067 numMergedOcc 0
9 mol 15 unq 0 iso 0 dist 5.89412 9.75966 6.03257 9.29358 6.19131 6.50647 numMergedOcc 0
10 mol 15 unq 1 iso 0 dist 7.07399 4.39605 6.03257 10.2062 6.19131 6.50647 numMergedOcc 0
11 mol 17 unq 0 iso 0 dist 9.78331 5.67637 7.25951 10.0032 6.31299 7.82406 numMergedOcc 0
12 mol 17 unq 1 iso 0 dist 9.78331 4.03817 7.92012 10.0032 6.31299 9.877 numMergedOcc 0
13 mol 19 unq 0 iso 0 dist 8.40416 4.64838 9.95212 6.20943 11.4087 5.82366 numMergedOcc 0
14 mol 19 unq 1 iso 0 dist 7.75618 4.97119 9.95212 7.82528 11.4087 5.82366 numMergedOcc 0
15 mol 19 unq 2 iso 0 dist 6.41575 9.74255 9.95212 9.58539 5.90856 7.02548 numMergedOcc 0
16 mol 19 unq 3 iso 0 dist 6.41423 7.08342 9.95212 8.58657 5.90856 7.02548 numMergedOcc 0
17 mol 25 unq 0 iso 0 dist 8.87757 13.9331 8.88938 9.43699 6.06874 6.63839 numMergedOcc 0
18 mol 25 unq 1 iso 0 dist 8.50222 10.5328 8.88938 12.8446 6.06874 6.63839 numMergedOcc 0
19 mol 25 unq 2 iso 0 dist 7.55264 10.4337 8.88938 11.7303 6.06874 6.63839 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 7.52354 14.3301 9.91054 11.3654 5.54732 6.95465 numMergedOcc 0
21 mol 98 unq 0 iso 0 dist 6.65501 7.06961 6.88901 10.417 5.71029 6.0129 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 8.99399 7.45148 7.20249 10.5042 4.48922 7.26955 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 6.16242 12.131 8.95662 11.3058 11.5342 9.50664 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 5.87634 14.8102 8.95662 16.0613 11.5342 9.50664 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 5.83771 4.60632 6.40575 12.7291 10.6595 8.55616 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 5.83771 4.60632 6.40575 12.0514 14.1488 8.73604 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 7.80532 5.71679 6.40575 10.9685 10.6595 8.55616 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 7.80532 5.71679 6.40575 8.6355 14.1488 8.73604 numMergedOcc 0
29 mol 156 unq 0 iso 0 dist 8.73722 6.14767 5.41575 6.88137 5.69209 7.30946 numMergedOcc 0
30 mol 156 unq 1 iso 0 dist 7.30357 5.81563 8.21184 7.36119 11.9671 6.05323 numMergedOcc 0
31 mol 156 unq 2 iso 0 dist 8.61587 5.81563 5.9976 7.36119 8.69711 6.05323 numMergedOcc 0
32 mol 156 unq 3 iso 0 dist 9.00416 10.8404 8.21184 15.5649 8.79853 7.30946 numMergedOcc 0
33 mol 156 unq 4 iso 0 dist 9.4013 5.4555 8.37434 6.27641 5.05683 5.81122 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 6.2479 8.04639 8.86197 10.7636 7.23063 6.32777 numMergedOcc 0
35 mol 181 unq 1 iso 0 dist 6.22122 13.0409 8.86197 13.1996 7.23063 6.32777 numMergedOcc 0
36 mol 181 unq 2 iso 0 dist 6.46704 7.81713 7.32087 12.1309 10.6325 9.06217 numMergedOcc 0
37 mol 181 unq 3 iso 0 dist 6.46704 7.81713 7.32087 12.2058 8.45963 7.13252 numMergedOcc 0
38 mol 181 unq 4 iso 0 dist 6.59025 7.81713 8.86197 12.1309 8.15174 9.06217 numMergedOcc 0
39 mol 181 unq 5 iso 0 dist 6.59025 7.81713 8.86197 12.2058 11.047 7.13252 numMergedOcc 0
40 mol 181 unq 6 iso 0 dist 9.72611 12.7358 7.22883 14.4372 11.2039 5.97685 numMergedOcc 0
41 mol 181 unq 7 iso 0 dist 9.72611 12.7358 7.22883 18.8786 15.9559 8.9289 numMergedOcc 0
42 mol 181 unq 8 iso 0 dist 7.99195 5.77299 8.86197 7.13543 7.23063 6.32777 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 8.65535 11.6598 6.1886 12.1599 11.8663 8.52969 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 6.72379 7.11753 6.38324 5.48258 4.26755 8.52969 numMergedOcc 0
45 mol 232 unq 0 iso 0 dist 8.50102 6.2188 9.78181 7.07392 10.9886 7.10413 numMergedOcc 0
46 mol 232 unq 1 iso 0 dist 9.40808 12.5452 9.78181 11.5589 10.9886 7.10413 numMergedOcc 0
47 mol 232 unq 2 iso 0 dist 9.05071 4.9377 9.8664 11.4727 16.1253 7.17337 numMergedOcc 0
48 mol 235 unq 0 iso 0 dist 6.36341 5.5163 6.94789 10.4621 7.96337 6.54825 numMergedOcc 0
49 mol 235 unq 1 iso 0 dist 6.21292 7.77516 6.94789 5.65339 7.96337 6.54825 numMergedOcc 0
50 mol 235 unq 2 iso 0 dist 9.21736 11.7254 6.94789 9.96742 7.96337 6.54825 numMergedOcc 0
51 mol 237 unq 0 iso 0 dist 9.20822 10.6582 8.10254 10.9067 9.55218 9.27395 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 8.69104 8.1195 5.92374 10.924 9.71156 7.04753 numMergedOcc 0
53 mol 238 unq 1 iso 0 dist 8.94014 5.50308 5.92374 10.6978 4.38002 6.62002 numMergedOcc 0
54 mol 238 unq 2 iso 0 dist 8.94014 5.50308 5.92374 11.1159 14.6816 9.69818 numMergedOcc 0
55 mol 238 unq 3 iso 0 dist 8.94014 5.50308 5.92374 6.05141 11.5793 6.73446 numMergedOcc 0
56 mol 238 unq 4 iso 0 dist 7.02333 7.11984 5.92374 8.14172 4.38002 6.62002 numMergedOcc 0
57 mol 238 unq 5 iso 0 dist 7.02333 7.11984 5.92374 12.7101 14.6816 9.69818 numMergedOcc 0
58 mol 238 unq 6 iso 0 dist 7.02333 7.11984 5.92374 8.09066 11.5793 6.73446 numMergedOcc 0
59 mol 238 unq 7 iso 0 dist 8.67864 7.95232 5.92374 6.77463 4.38002 6.62002 numMergedOcc 0
60 mol 238 unq 8 iso 0 dist 8.67864 7.95232 5.92374 9.93432 14.6816 9.69818 numMergedOcc 0
61 mol 238 unq 9 iso 0 dist 8.67864 7.95232 5.92374 7.2766 11.5793 6.73446 numMergedOcc 0
62 mol 271 unq 0 iso 0 dist 9.70714 8.66946 5.92274 11.1285 4.51983 5.81266 numMergedOcc 0
63 mol 273 unq 0 iso 0 dist 8.49177 4.60101 7.16346 12.7608 13.9948 8.68913 numMergedOcc 0
64 mol 274 unq 0 iso 0 dist 8.52587 16.3619 9.16942 12.5979 4.60275 9.20749 numMergedOcc 0
65 mol 274 unq 1 iso 0 dist 6.39866 5.64601 9.16942 9.19234 4.60275 9.20749 numMergedOcc 0
66 mol 280 unq 0 iso 0 dist 9.76787 6.19336 6.73712 11.1057 4.12456 5.80452 numMergedOcc 0
67 mol 280 unq 1 iso 0 dist 9.76787 6.19336 6.73712 12.5207 9.56032 7.82157 numMergedOcc 0
68 mol 284 unq 0 iso 0 dist 6.78191 4.50325 7.34931 4.86729 6.76453 6.61376 numMergedOcc 0
