0 mol 41 unq 0 iso 0 dist 5.52067 9.95354 7.56029 13.0533 9.76552 7.31718 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 5.52067 9.95354 7.56029 15.3941 12.6338 5.47447 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.80104 11.8533 8.05514 12.0508 13.0221 8.19932 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 7.85041 12.1673 7.8435 17.6028 12.5638 6.67678 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 7.85041 12.1673 7.8435 18.4528 12.4215 7.24956 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 7.85041 12.1673 7.8435 8.70794 5.99863 8.28591 numMergedOcc 0
6 mol 93 unq 3 iso 0 dist 7.85041 12.1673 7.8435 12.2186 6.15015 9.40687 numMergedOcc 0
7 mol 93 unq 4 iso 0 dist 7.85041 7.30779 5.99269 8.70794 5.99863 5.35008 numMergedOcc 0
8 mol 93 unq 5 iso 0 dist 7.85041 7.30779 5.99269 12.2186 6.15015 8.84576 numMergedOcc 0
9 mol 93 unq 6 iso 0 dist 7.85041 9.18194 5.71763 8.70794 5.99863 8.30921 numMergedOcc 0
10 mol 93 unq 7 iso 0 dist 7.85041 9.18194 5.71763 12.2186 6.15015 7.39732 numMergedOcc 0
11 mol 93 unq 8 iso 0 dist 7.85041 9.18194 5.71763 16.0253 10.9803 9.67744 numMergedOcc 0
12 mol 107 unq 0 iso 0 dist 8.13921 3.60392 6.61727 11.9455 10.1455 9.54492 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 7.82011 4.89178 4.99604 9.81737 4.25001 5.92828 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 9.39683 8.34485 6.78801 16.4794 9.93041 8.49847 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 7.35329 5.80353 5.48379 10.8611 6.02991 6.77583 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.94153 5.93479 7.04815 11.5528 6.50208 6.94594 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 7.94153 5.93479 7.04815 9.8337 6.3786 5.81881 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 7.94153 5.86306 6.07389 12.9302 8.54557 9.4366 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 9.77862 8.31541 5.53324 12.7281 7.82899 4.45769 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 9.77862 8.31541 5.53324 13.0738 10.0237 5.89939 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 9.83885 13.4094 7.53395 14.9615 6.72925 4.97301 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 7.39624 6.2381 8.21997 8.3107 6.00226 9.59928 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 7.29542 13.317 9.87668 20.0266 13.9338 8.74463 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 6.57207 9.43777 9.39658 14.4158 10.4138 7.62991 numMergedOcc 0
25 mol 252 unq 1 iso 0 dist 6.57207 9.43777 9.39658 17.4436 19.1465 9.81261 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 9.42738 9.04569 7.14086 13.0402 9.4435 8.55386 numMergedOcc 0
27 mol 270 unq 0 iso 0 dist 7.89335 4.28765 8.49032 10.7874 4.42436 9.67647 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 8.23056 6.25207 5.8304 11.2355 7.93548 4.98693 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 5.80415 4.3249 8.94601 6.01404 8.03918 4.27826 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 5.80415 4.3249 8.94601 9.14377 11.1127 5.82074 numMergedOcc 0
