0 mol 26 unq 0 iso 0 dist 6.88695 6.66387 9.16962 14.5062 13.2136 8.82012 9.63803 8.25132 5.84066 5.56139 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 8.58841 13.8628 8.19682 17.86 10.2879 6.21982 22.3883 15.4159 9.4866 5.31985 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 8.3164 5.49138 5.87358 11.4135 4.98336 9.20981 8.30089 6.35679 8.38791 4.94189 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 7.91337 6.02826 7.39889 11.7745 11.6667 9.63176 5.90003 6.30721 6.55202 6.9194 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 7.91337 6.02826 7.39889 11.7745 11.6667 9.63176 14.6053 14.443 9.08536 9.68677 numMergedOcc 0
5 mol 119 unq 2 iso 0 dist 7.91337 6.02826 7.39889 13.3911 11.3169 7.44174 5.90003 6.30721 6.55202 12.4621 numMergedOcc 0
6 mol 119 unq 3 iso 0 dist 7.91337 6.02826 7.39889 13.3911 11.3169 7.44174 14.6053 14.443 9.08536 6.20019 numMergedOcc 0
7 mol 126 unq 0 iso 0 dist 8.32241 4.56139 7.75534 11.9998 7.12167 9.06011 11.2195 5.42561 8.7789 7.47528 numMergedOcc 0
8 mol 126 unq 1 iso 0 dist 8.32241 4.56139 7.75534 11.9998 7.12167 9.06011 12.9831 10.7549 9.93613 11.9496 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 5.49877 6.53156 6.89257 10.792 6.83397 6.79146 11.6815 7.52422 8.9677 4.66904 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 5.49877 6.53156 6.89257 9.72083 7.50049 7.66168 11.6815 7.52422 8.9677 11.1455 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 4.44292 4.40049 7.39644 10.6076 10.7616 7.36102 7.25009 7.10286 5.36254 4.91785 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 8.5119 11.711 7.17547 13.3259 7.83217 7.13323 19.1373 15.6802 8.61306 13.7327 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 7.86368 15.442 7.85175 12.3151 5.88703 6.25105 10.9409 3.95629 7.36208 5.53885 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 9.11256 14.9183 9.58736 12.8963 9.85037 9.43058 16.5297 13.7306 7.02029 7.31605 numMergedOcc 0
15 mol 235 unq 1 iso 0 dist 9.11256 14.9183 9.58736 17.4969 13.6669 8.75735 16.5297 13.7306 7.02029 4.12497 numMergedOcc 0
16 mol 235 unq 2 iso 0 dist 9.11256 14.9183 9.58736 20.3048 16.4493 6.98084 16.5297 13.7306 7.02029 8.26028 numMergedOcc 0
17 mol 235 unq 3 iso 0 dist 9.11256 14.9183 9.58736 22.1086 15.4 7.32211 16.5297 13.7306 7.02029 10.7187 numMergedOcc 0
18 mol 235 unq 4 iso 0 dist 7.08539 4.28284 9.58736 11.3151 9.85037 9.43058 11.0152 13.7306 7.02029 7.31605 numMergedOcc 0
19 mol 235 unq 5 iso 0 dist 7.08539 4.28284 9.58736 12.206 13.6669 8.75735 11.0152 13.7306 7.02029 4.12497 numMergedOcc 0
20 mol 235 unq 6 iso 0 dist 7.08539 4.28284 9.58736 10.3464 16.4493 6.98084 11.0152 13.7306 7.02029 8.26028 numMergedOcc 0
21 mol 235 unq 7 iso 0 dist 7.08539 4.28284 9.58736 9.4144 15.4 7.32211 11.0152 13.7306 7.02029 10.7187 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.13537 6.16476 5.38637 9.01016 5.42006 6.55759 11.7874 13.378 9.38131 10.4966 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 9.32451 4.81145 6.05141 11.5933 5.6348 8.09066 9.99194 5.27215 8.69525 6.13368 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 9.32451 4.81145 6.05141 10.7555 8.87326 7.2766 9.99194 5.27215 8.69525 10.0605 numMergedOcc 0
25 mol 238 unq 3 iso 0 dist 9.66555 8.92175 7.49471 11.6545 5.34096 7.19008 12.6412 12.7938 5.43613 11.0772 numMergedOcc 0
26 mol 238 unq 4 iso 0 dist 9.66555 8.92175 7.49471 11.6545 5.34096 7.19008 6.96382 6.82305 7.24334 5.71717 numMergedOcc 0
27 mol 238 unq 5 iso 0 dist 8.67205 5.94371 7.49471 11.1363 5.34096 7.19008 9.72795 12.7938 5.43613 11.0772 numMergedOcc 0
28 mol 238 unq 6 iso 0 dist 8.67205 5.94371 7.49471 11.1363 5.34096 7.19008 8.6732 6.82305 7.24334 5.71717 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 9.12507 4.09442 8.37865 10.5892 12.5353 7.48005 10.7775 4.04513 8.84648 10.282 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 9.12507 4.09442 8.37865 10.5892 12.5353 7.48005 4.95855 7.09907 6.23661 10.067 numMergedOcc 0
