0 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 9.97498 9.75144 5.39241 12.1911 5.69214 7.95042 11.8884 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 10.1053 9.83618 10.4442 12.8366 5.41726 6.6263 13.07 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 10.1053 9.83618 9.49077 12.8366 5.41726 6.75943 13.07 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 7.14908 9.02278 11.6894 13.4016 9.78221 9.55118 16.0371 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 8.4143 13.7926 9.78528 7.14908 9.02278 11.6894 18.8579 11.6634 9.10345 18.3118 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.11695 14.4144 9.33898 6.85223 8.36431 10.9701 11.295 4.3481 7.06939 10.5758 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 7.11695 9.54167 9.64443 6.85223 8.36431 12.4284 10.9777 5.31547 9.36001 13.3865 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 4.71183 6.58204 10.9608 11.7018 4.03277 8.91882 10.259 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 10.2716 7.75343 15.209 13.6554 5.9143 7.82475 11.3652 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 10.2716 7.75343 15.209 11.5608 5.47563 5.35782 12.1809 numMergedOcc 0
10 mol 100 unq 3 iso 0 dist 9.22737 6.60925 6.65086 10.2716 7.75343 10.9608 13.861 6.23008 8.91882 10.259 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 9.41191 12.7291 8.69985 7.32599 5.87358 9.46098 14.206 5.00433 8.52024 9.74008 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 10.8105 7.76729 10.7942 12.5457 6.63111 6.39384 8.0168 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 10.8105 7.76729 10.9739 7.84768 4.48636 7.69765 10.1174 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 10.8105 7.76729 10.9739 12.5457 6.63111 9.42082 8.0168 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.47554 9.67676 8.00618 6.61857 7.92688 12.2037 10.3522 15.0115 8.77023 16.243 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 10.0815 8.6355 5.41704 15.2447 12.3479 9.33094 11.7151 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 9.16358 10.0911 8.94367 5.0903 8.79571 5.41704 14.33 7.41373 9.33094 11.7151 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 9.16358 9.66197 9.86662 5.0903 8.79571 6.17103 17.7356 12.8086 9.1998 14.0978 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 9.16358 9.66197 9.86662 5.0903 8.79571 6.17103 14.33 7.41373 8.69531 11.7151 numMergedOcc 0
20 mol 134 unq 4 iso 0 dist 6.48328 10.0911 6.37586 5.0903 5.42582 5.41704 14.33 10.8635 9.33094 11.7151 numMergedOcc 0
21 mol 134 unq 5 iso 0 dist 6.48328 9.66197 9.71307 5.0903 5.42582 6.17103 17.7356 15.0225 9.1998 14.0978 numMergedOcc 0
22 mol 134 unq 6 iso 0 dist 6.48328 9.66197 9.71307 5.0903 5.42582 6.17103 14.33 10.8635 8.69531 11.7151 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 8.41774 13.1435 8.56324 10.8622 9.13561 5.99333 12.9285 5.39112 6.59889 10.5081 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 8.41774 13.1435 8.56324 10.8622 9.13561 5.99333 11.2309 4.84714 8.9192 12.0501 numMergedOcc 0
25 mol 152 unq 2 iso 0 dist 8.41774 13.793 6.70283 10.8622 9.13561 8.25411 12.9285 5.39112 6.70693 10.5081 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 9.63185 14.4816 6.69288 6.70227 8.96511 10.5783 14.7977 6.42973 7.06025 12.6109 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 5.20775 4.93785 6.7991 13.6955 6.8757 6.64173 9.09234 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 7.7544 10.8374 7.81386 5.20775 4.93785 6.7991 5.97971 5.71898 9.01624 6.76746 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 7.7544 10.8374 7.81386 5.20775 4.93785 6.7991 9.30874 5.83796 9.55105 8.92098 numMergedOcc 0
30 mol 182 unq 0 iso 0 dist 9.06702 13.1207 9.31746 10.9586 6.73313 11.1088 16.4138 8.82964 9.56028 13.9393 numMergedOcc 0
