0 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 13.4016 9.78221 9.55118 18.8579 11.6634 9.10345 9.20237 numMergedOcc 0
1 mol 72 unq 0 iso 1 dist 8.4143 13.7926 9.78528 18.8579 11.6634 9.10345 13.4016 9.78221 9.55118 9.20237 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.23812 9.59988 6.19304 13.1768 6.20232 8.68662 12.8474 5.70116 7.4369 3.30399 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 7.23812 9.59988 6.19304 12.8474 5.70116 7.4369 13.1768 6.20232 8.68662 3.30399 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.23812 7.80518 8.70481 10.4722 11.2069 5.5087 12.7709 10.6713 6.08682 5.30471 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 7.23812 7.80518 8.70481 12.7709 10.6713 6.08682 10.4722 11.2069 5.5087 5.30471 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 22.8432 15.6249 8.27883 21.3539 12.4896 5.75428 6.27231 numMergedOcc 0
7 mol 95 unq 0 iso 1 dist 9.64673 16.4832 8.03644 21.3539 12.4896 5.75428 22.8432 15.6249 8.27883 6.27231 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.64673 16.4832 8.03644 22.8432 15.6249 8.27883 23.6493 14.2178 8.57395 11.734 numMergedOcc 0
9 mol 95 unq 1 iso 1 dist 9.64673 16.4832 8.03644 23.6493 14.2178 8.57395 22.8432 15.6249 8.27883 11.734 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 9.64673 16.4832 8.03644 22.8432 15.6249 8.27883 17.3737 8.78079 9.85409 17.4304 numMergedOcc 0
11 mol 95 unq 2 iso 1 dist 9.64673 16.4832 8.03644 17.3737 8.78079 9.85409 22.8432 15.6249 8.27883 17.4304 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 9.64673 16.4832 8.03644 21.3539 12.4896 5.75428 23.6493 14.2178 8.57395 6.95874 numMergedOcc 0
13 mol 95 unq 1 iso 1 dist 9.64673 16.4832 8.03644 23.6493 14.2178 8.57395 21.3539 12.4896 5.75428 6.95874 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 9.64673 16.4832 8.03644 21.3539 12.4896 5.75428 17.3737 8.78079 9.85409 12.3063 numMergedOcc 0
15 mol 95 unq 2 iso 1 dist 9.64673 16.4832 8.03644 17.3737 8.78079 9.85409 21.3539 12.4896 5.75428 12.3063 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 9.64673 16.4832 8.03644 23.6493 14.2178 8.57395 17.3737 8.78079 9.85409 9.43547 numMergedOcc 0
17 mol 95 unq 2 iso 1 dist 9.64673 16.4832 8.03644 17.3737 8.78079 9.85409 23.6493 14.2178 8.57395 9.43547 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 13.6554 5.9143 7.82475 11.5608 5.47563 5.35782 3.5565 numMergedOcc 0
19 mol 100 unq 0 iso 1 dist 9.22737 12.9061 7.47343 11.5608 5.47563 5.35782 13.6554 5.9143 7.82475 3.5565 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 7.9258 4.75197 5.83991 7.84768 4.48636 7.69765 12.5457 6.63111 9.42082 11.044 numMergedOcc 0
21 mol 115 unq 0 iso 1 dist 7.9258 4.75197 5.83991 12.5457 6.63111 9.42082 7.84768 4.48636 7.69765 11.044 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 9.1987 10.4463 8.54584 14.8046 12.1739 5.51197 11.9391 5.63254 8.86944 9.74141 numMergedOcc 0
23 mol 129 unq 0 iso 1 dist 9.1987 10.4463 8.54584 11.9391 5.63254 8.86944 14.8046 12.1739 5.51197 9.74141 numMergedOcc 0
24 mol 129 unq 1 iso 0 dist 9.1987 10.4463 8.54584 14.8046 12.1739 5.51197 14.4301 8.26896 6.69691 5.94312 numMergedOcc 0
25 mol 129 unq 1 iso 1 dist 9.1987 10.4463 8.54584 14.4301 8.26896 6.69691 14.8046 12.1739 5.51197 5.94312 numMergedOcc 0
26 mol 129 unq 1 iso 0 dist 9.1987 10.4463 8.54584 11.9391 5.63254 8.86944 14.4301 8.26896 6.69691 5.35495 numMergedOcc 0
27 mol 129 unq 1 iso 1 dist 9.1987 10.4463 8.54584 14.4301 8.26896 6.69691 11.9391 5.63254 8.86944 5.35495 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 9.16358 9.66197 9.86662 17.7356 12.8086 9.1998 14.33 7.41373 8.69531 5.83782 numMergedOcc 0
29 mol 134 unq 0 iso 1 dist 9.16358 9.66197 9.86662 14.33 7.41373 8.69531 17.7356 12.8086 9.1998 5.83782 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 6.48328 9.66197 9.71307 17.7356 15.0225 9.1998 14.33 10.8635 8.69531 5.83782 numMergedOcc 0
31 mol 134 unq 1 iso 1 dist 6.48328 9.66197 9.71307 14.33 10.8635 8.69531 17.7356 15.0225 9.1998 5.83782 numMergedOcc 0
32 mol 152 unq 0 iso 0 dist 8.41774 13.1435 8.56324 12.9285 5.39112 6.59889 11.2309 4.84714 8.9192 3.55572 numMergedOcc 0
33 mol 152 unq 0 iso 1 dist 8.41774 13.1435 8.56324 11.2309 4.84714 8.9192 12.9285 5.39112 6.59889 3.55572 numMergedOcc 0
34 mol 167 unq 0 iso 0 dist 9.23645 6.45463 9.87651 9.41209 7.87971 7.20495 14.8848 12.0033 9.2289 9.25262 numMergedOcc 0
35 mol 167 unq 0 iso 1 dist 9.23645 6.45463 9.87651 14.8848 12.0033 9.2289 9.41209 7.87971 7.20495 9.25262 numMergedOcc 0
36 mol 167 unq 1 iso 0 dist 9.23645 6.45463 9.87651 9.41209 7.87971 7.20495 12.7968 11.6011 7.02548 6.81449 numMergedOcc 0
37 mol 167 unq 1 iso 1 dist 9.23645 6.45463 9.87651 12.7968 11.6011 7.02548 9.41209 7.87971 7.20495 6.81449 numMergedOcc 0
38 mol 167 unq 1 iso 0 dist 9.23645 6.45463 9.87651 14.8848 12.0033 9.2289 12.7968 11.6011 7.02548 3.55199 numMergedOcc 0
39 mol 167 unq 1 iso 1 dist 9.23645 6.45463 9.87651 12.7968 11.6011 7.02548 14.8848 12.0033 9.2289 3.55199 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 13.6955 6.8757 6.64173 5.97971 5.71898 9.01624 11.196 numMergedOcc 0
41 mol 181 unq 0 iso 1 dist 7.7544 10.8374 7.81386 5.97971 5.71898 9.01624 13.6955 6.8757 6.64173 11.196 numMergedOcc 0
42 mol 181 unq 1 iso 0 dist 7.7544 10.8374 7.81386 13.6955 6.8757 6.64173 9.30874 5.83796 9.55105 10.1041 numMergedOcc 0
43 mol 181 unq 1 iso 1 dist 7.7544 10.8374 7.81386 9.30874 5.83796 9.55105 13.6955 6.8757 6.64173 10.1041 numMergedOcc 0
44 mol 181 unq 1 iso 0 dist 7.7544 10.8374 7.81386 5.97971 5.71898 9.01624 9.30874 5.83796 9.55105 3.55187 numMergedOcc 0
45 mol 181 unq 1 iso 1 dist 7.7544 10.8374 7.81386 9.30874 5.83796 9.55105 5.97971 5.71898 9.01624 3.55187 numMergedOcc 0
