0 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 14.0737 12.8323 9.87885 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 12.1911 5.69214 7.95042 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 12.8366 5.41726 6.6263 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 12.8366 5.41726 6.75943 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 9.47348 9.92508 8.93915 15.6164 10.0383 6.75943 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 13.4016 9.78221 9.55118 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 8.4143 13.7926 9.78528 18.8579 11.6634 9.10345 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 12.8474 5.70116 9.73086 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.23812 9.59988 6.19304 13.1768 6.20232 8.68662 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 7.23812 9.59988 6.19304 12.8474 5.70116 7.4369 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 7.23812 7.80518 8.70481 10.4722 11.2069 5.5087 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 7.23812 7.80518 8.70481 12.7709 10.6713 6.08682 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 7.11695 14.4144 9.33898 11.295 4.3481 7.06939 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 7.11695 9.54167 9.64443 10.9777 5.31547 9.36001 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 22.8432 15.6249 8.27883 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 9.64673 16.4832 8.03644 21.3539 12.4896 5.75428 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 9.64673 16.4832 8.03644 23.6493 14.2178 8.57395 numMergedOcc 0
17 mol 95 unq 3 iso 0 dist 9.64673 16.4832 8.03644 17.3737 8.78079 9.85409 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 11.7018 4.03277 8.91882 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 13.6554 5.9143 7.82475 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 11.5608 5.47563 5.35782 numMergedOcc 0
21 mol 100 unq 3 iso 0 dist 9.22737 6.60925 6.65086 13.861 6.23008 8.91882 numMergedOcc 0
22 mol 109 unq 0 iso 0 dist 9.41191 12.7291 8.69985 14.206 5.00433 8.52024 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 12.5457 6.63111 6.39384 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 7.84768 4.48636 7.69765 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 12.5457 6.63111 9.42082 numMergedOcc 0
26 mol 129 unq 0 iso 0 dist 9.1987 10.4463 8.54584 14.8046 12.1739 5.51197 numMergedOcc 0
27 mol 129 unq 1 iso 0 dist 9.1987 10.4463 8.54584 11.9391 5.63254 8.86944 numMergedOcc 0
28 mol 129 unq 2 iso 0 dist 9.1987 10.4463 8.54584 14.4301 8.26896 6.69691 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 8.97762 9.74121 6.29155 11.716 13.0405 8.77023 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 9.47554 9.67676 8.00618 10.3522 15.0115 8.77023 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 15.2447 12.3479 9.33094 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 9.16358 10.0911 8.94367 14.33 7.41373 9.33094 numMergedOcc 0
33 mol 134 unq 2 iso 0 dist 9.16358 9.66197 9.86662 17.7356 12.8086 9.1998 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 9.16358 9.66197 9.86662 14.33 7.41373 8.69531 numMergedOcc 0
35 mol 134 unq 4 iso 0 dist 6.48328 10.0911 6.37586 14.33 10.8635 9.33094 numMergedOcc 0
36 mol 134 unq 5 iso 0 dist 6.48328 9.66197 9.71307 17.7356 15.0225 9.1998 numMergedOcc 0
37 mol 134 unq 6 iso 0 dist 6.48328 9.66197 9.71307 14.33 10.8635 8.69531 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 8.41774 13.1435 8.56324 12.9285 5.39112 6.59889 numMergedOcc 0
39 mol 152 unq 1 iso 0 dist 8.41774 13.1435 8.56324 11.2309 4.84714 8.9192 numMergedOcc 0
40 mol 152 unq 2 iso 0 dist 8.41774 13.793 6.70283 12.9285 5.39112 6.70693 numMergedOcc 0
41 mol 167 unq 0 iso 0 dist 9.23645 6.45463 9.87651 9.41209 7.87971 7.20495 numMergedOcc 0
42 mol 167 unq 1 iso 0 dist 9.23645 6.45463 9.87651 14.8848 12.0033 9.2289 numMergedOcc 0
43 mol 167 unq 2 iso 0 dist 9.23645 6.45463 9.87651 12.7968 11.6011 7.02548 numMergedOcc 0
44 mol 170 unq 0 iso 0 dist 9.32245 6.45787 9.76807 9.66676 4.78249 9.51256 numMergedOcc 0
45 mol 178 unq 0 iso 0 dist 9.63185 14.4816 6.69288 14.7977 6.42973 7.06025 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 13.6955 6.8757 6.64173 numMergedOcc 0
47 mol 181 unq 1 iso 0 dist 7.7544 10.8374 7.81386 5.97971 5.71898 9.01624 numMergedOcc 0
48 mol 181 unq 2 iso 0 dist 7.7544 10.8374 7.81386 9.30874 5.83796 9.55105 numMergedOcc 0
49 mol 182 unq 0 iso 0 dist 9.06702 13.1207 9.31746 16.4138 8.82964 9.56028 numMergedOcc 0
50 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 10.4944 13.514 6.52816 numMergedOcc 0
51 mol 224 unq 0 iso 0 dist 8.80858 4.46743 6.65832 10.0366 5.76843 6.99769 numMergedOcc 0
52 mol 224 unq 1 iso 0 dist 8.80858 4.93626 6.60589 10.0366 5.76843 8.79428 numMergedOcc 0
53 mol 224 unq 2 iso 0 dist 8.80858 11.8641 9.16166 10.0366 5.76843 6.8692 numMergedOcc 0
54 mol 229 unq 0 iso 0 dist 8.83023 9.15968 7.03423 14.0673 7.22525 7.27993 numMergedOcc 0
55 mol 236 unq 0 iso 0 dist 6.61371 9.63949 7.68742 11.3386 4.89609 9.3206 numMergedOcc 0
56 mol 236 unq 1 iso 0 dist 5.90804 7.45579 6.27581 10.2767 10.5774 9.3206 numMergedOcc 0
57 mol 238 unq 0 iso 0 dist 4.80834 7.04671 5.72887 5.52788 7.06793 9.72188 numMergedOcc 0
58 mol 276 unq 0 iso 0 dist 8.15803 11.2406 9.8993 13.3254 9.39944 8.6759 numMergedOcc 0
