0 mol 26 unq 0 iso 0 dist 6.88695 9.63803 8.25132 6.66387 9.16962 5.84066 14.5062 13.2136 5.56139 8.82012 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 4.88613 8.85156 5.6823 9.80755 8.89374 13.8436 9.01612 5.35073 6.57389 8.63333 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 4.88613 8.85156 5.6823 9.80755 8.89374 13.8436 10.3132 8.62958 13.8377 6.46761 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 4.88613 8.85156 5.6823 9.80755 8.89374 13.8436 16.5848 14.176 18.6416 9.73139 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 5.49138 5.87358 9.74008 11.4135 4.98336 8.07002 9.20981 numMergedOcc 0
5 mol 109 unq 1 iso 0 dist 8.3164 8.30089 6.35679 5.49138 5.87358 8.38791 11.4135 4.98336 4.94189 9.20981 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 9.81097 8.66155 13.0432 12.5189 7.69052 11.1447 9.66954 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.91337 5.90003 6.30721 6.02826 7.39889 6.55202 11.7745 11.6667 6.9194 9.63176 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 7.91337 5.90003 6.30721 6.02826 7.39889 6.55202 13.3911 11.3169 12.4621 7.44174 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 6.53156 6.89257 10.1252 10.792 6.83397 11.2343 6.79146 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 5.49877 5.82945 4.97996 6.53156 6.89257 10.1252 9.72083 7.50049 12.2398 7.66168 numMergedOcc 0
11 mol 130 unq 2 iso 0 dist 5.49877 5.82945 4.97996 4.72188 8.74308 10.5067 9.72083 7.50049 12.2398 9.12581 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 9.55556 8.78303 7.41373 10.2625 8.79571 11.7151 12.1043 5.49782 10.8635 5.42582 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 9.55556 8.78303 7.41373 10.2625 8.79571 11.7151 16.0579 8.80819 12.3479 8.6355 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 4.44292 7.25009 7.10286 4.40049 7.39644 5.36254 10.6076 10.7616 4.91785 7.36102 numMergedOcc 0
15 mol 155 unq 1 iso 0 dist 4.44292 7.25009 7.10286 6.61119 7.70572 12.6321 10.449 7.01918 12.6999 8.65888 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.32451 9.99194 5.27215 4.81145 6.05141 8.69525 11.5933 5.6348 6.13368 8.09066 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 9.32451 9.99194 5.27215 4.81145 6.05141 8.69525 10.7555 8.87326 10.0605 7.2766 numMergedOcc 0
18 mol 238 unq 2 iso 0 dist 9.66555 6.96382 6.82305 8.92175 7.49471 7.24334 11.6545 5.34096 5.71717 7.19008 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 4.09442 8.37865 6.23661 10.5892 12.5353 10.067 7.48005 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 9.12507 7.72489 9.71793 4.09442 8.37865 9.43105 10.5892 12.5353 11.6988 7.48005 numMergedOcc 0
