0 mol 7 unq 0 iso 0 dist 6.36911 5.03847 9.97624 9.68596 13.0969 6.14469 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.36807 13.8829 9.97624 12.9581 13.0969 6.14469 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.47421 9.5997 9.57198 14.519 13.9252 7.35972 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 8.47421 9.5997 9.57198 18.1148 18.4167 9.93542 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 9.53002 10.9183 8.73067 6.35398 7.5901 7.98326 numMergedOcc 0
5 mol 11 unq 1 iso 0 dist 9.53002 10.9183 8.73067 13.5138 12.5553 7.46578 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 9.29358 9.75966 6.50647 5.89412 6.19131 6.03257 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 9.80108 4.96411 7.02548 10.741 5.90856 9.95212 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 6.00439 6.42867 5.82366 15.4288 11.4087 9.95212 numMergedOcc 0
9 mol 19 unq 2 iso 0 dist 6.20943 4.64838 5.82366 8.40416 11.4087 9.95212 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 7.82528 4.97119 5.82366 7.75618 11.4087 9.95212 numMergedOcc 0
11 mol 19 unq 4 iso 0 dist 8.58657 7.08342 7.02548 6.41423 5.90856 9.95212 numMergedOcc 0
12 mol 21 unq 0 iso 0 dist 6.08338 10.6971 6.93185 10.9364 8.23299 8.60289 numMergedOcc 0
13 mol 54 unq 0 iso 0 dist 5.02241 4.29856 6.30987 10.4031 6.85072 9.17082 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 8.70133 5.11416 7.10439 12.1382 9.79695 8.87464 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 5.64598 8.44406 7.10439 14.571 9.79695 8.87464 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 4.65521 6.56633 7.10439 10.2755 9.79695 8.87464 numMergedOcc 0
17 mol 76 unq 0 iso 0 dist 6.21982 4.85247 7.03226 11.2783 9.24521 8.95905 numMergedOcc 0
18 mol 76 unq 1 iso 0 dist 8.19682 6.45686 7.03226 9.38371 9.24521 8.95905 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 6.73814 13.7032 9.83981 21.1749 16.0864 8.42878 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 7.39889 5.92984 7.26955 9.84094 4.48922 7.20249 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 9.63176 15.5019 7.26955 13.6095 4.48922 7.20249 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 7.44174 10.314 7.26955 10.0809 4.48922 7.20249 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 8.79571 4.57832 8.73604 10.5252 14.1488 6.40575 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 5.42582 5.29786 8.73604 10.7586 14.1488 6.40575 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 8.6355 5.71679 8.73604 7.80532 14.1488 6.40575 numMergedOcc 0
26 mol 156 unq 0 iso 0 dist 6.88137 6.14767 7.30946 12.8116 8.79853 8.21184 numMergedOcc 0
27 mol 156 unq 1 iso 0 dist 6.88137 6.14767 7.30946 8.73722 5.69209 5.41575 numMergedOcc 0
28 mol 156 unq 2 iso 0 dist 7.36119 5.81563 6.05323 7.30357 11.9671 8.21184 numMergedOcc 0
29 mol 156 unq 3 iso 0 dist 7.36119 5.81563 6.05323 8.61587 8.69711 5.9976 numMergedOcc 0
30 mol 156 unq 4 iso 0 dist 6.27641 5.4555 5.81122 9.4013 5.05683 8.37434 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 6.94688 6.6251 9.06217 12.4878 10.6325 7.32087 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 6.94688 6.6251 9.06217 10.6908 8.15174 8.86197 numMergedOcc 0
33 mol 181 unq 2 iso 0 dist 6.71012 6.6251 7.13252 12.4878 8.45963 7.32087 numMergedOcc 0
34 mol 181 unq 3 iso 0 dist 6.71012 6.6251 7.13252 10.6908 11.047 8.86197 numMergedOcc 0
35 mol 181 unq 4 iso 0 dist 7.13543 5.77299 6.32777 7.99195 7.23063 8.86197 numMergedOcc 0
36 mol 181 unq 5 iso 0 dist 7.13543 5.77299 6.32777 9.85106 5.42554 5.94379 numMergedOcc 0
37 mol 181 unq 6 iso 0 dist 7.98142 5.63555 5.97685 11.9764 11.2039 7.22883 numMergedOcc 0
38 mol 181 unq 7 iso 0 dist 7.37327 5.63555 8.9289 11.9764 15.9559 7.22883 numMergedOcc 0
39 mol 181 unq 8 iso 0 dist 4.93785 7.77758 7.05653 14.08 9.67649 9.92471 numMergedOcc 0
40 mol 192 unq 0 iso 0 dist 8.36822 8.49529 7.33225 12.0486 8.38671 6.60053 numMergedOcc 0
41 mol 192 unq 1 iso 0 dist 8.36822 8.49529 7.33225 12.708 11.0721 9.36796 numMergedOcc 0
42 mol 194 unq 0 iso 0 dist 5.48258 7.11753 8.52969 6.72379 4.26755 6.38324 numMergedOcc 0
43 mol 194 unq 1 iso 0 dist 5.48258 7.11753 8.52969 12.645 11.8663 6.1886 numMergedOcc 0
44 mol 232 unq 0 iso 0 dist 7.07392 6.2188 7.10413 8.50102 10.9886 9.78181 numMergedOcc 0
45 mol 232 unq 1 iso 0 dist 9.62952 6.09015 7.10413 12.3651 10.9886 9.78181 numMergedOcc 0
46 mol 235 unq 0 iso 0 dist 5.65339 7.77516 6.54825 6.21292 7.96337 6.94789 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 6.05141 5.50308 6.73446 8.94014 11.5793 5.92374 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 8.14172 7.11984 6.62002 7.02333 4.38002 5.92374 numMergedOcc 0
49 mol 238 unq 2 iso 0 dist 8.09066 7.11984 6.73446 7.02333 11.5793 5.92374 numMergedOcc 0
50 mol 238 unq 3 iso 0 dist 6.77463 7.95232 6.62002 8.67864 4.38002 5.92374 numMergedOcc 0
51 mol 238 unq 4 iso 0 dist 7.2766 7.95232 6.73446 8.67864 11.5793 5.92374 numMergedOcc 0
52 mol 256 unq 0 iso 0 dist 5.24676 7.7384 9.18903 11.9549 10.4051 6.37963 numMergedOcc 0
53 mol 256 unq 1 iso 0 dist 5.24676 7.7384 9.18903 13.0251 13.9633 6.00636 numMergedOcc 0
54 mol 256 unq 2 iso 0 dist 8.09363 11.0837 9.18903 12.4422 10.4051 6.37963 numMergedOcc 0
55 mol 256 unq 3 iso 0 dist 8.09363 11.0837 9.18903 16.4505 13.9633 6.00636 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 9.19234 5.64601 9.20749 6.39866 4.60275 9.16942 numMergedOcc 0
57 mol 284 unq 0 iso 0 dist 4.86729 4.50325 6.61376 6.78191 6.76453 7.34931 numMergedOcc 0
