0 mol 10 unq 0 iso 0 dist 7.21183 7.66861 7.5169 3.69246 7.30932 6.62276 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.62527 4.21886 8.65828 3.30063 8.36742 4.28862 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.62527 4.21886 8.65828 8.44515 8.10028 4.93643 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 7.43758 4.24515 8.24422 5.35996 5.75809 8.89273 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 7.43758 5.03315 8.99724 5.35996 5.75809 8.10455 numMergedOcc 0
5 mol 32 unq 0 iso 0 dist 4.09276 5.47588 8.67141 3.82644 6.38271 6.13409 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 5.68877 5.70643 4.50643 5.22301 9.36493 9.45561 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 5.68877 5.70643 4.50643 9.36704 9.0665 8.57695 numMergedOcc 0
8 mol 34 unq 2 iso 0 dist 5.68877 5.70643 4.50643 12.1168 7.07773 9.30664 numMergedOcc 0
9 mol 44 unq 0 iso 0 dist 6.30541 4.68435 6.11574 3.44879 5.89913 4.94258 numMergedOcc 0
10 mol 44 unq 1 iso 0 dist 6.14602 4.0144 6.11574 3.76713 5.89913 4.94258 numMergedOcc 0
11 mol 54 unq 0 iso 0 dist 8.34361 14.1632 6.29755 2.97898 9.63616 15.2635 numMergedOcc 0
12 mol 54 unq 1 iso 0 dist 8.34361 15.4599 7.4038 2.97898 9.63616 16.9039 numMergedOcc 0
13 mol 64 unq 0 iso 0 dist 7.49861 4.69203 5.45684 4.24381 9.05343 7.81738 numMergedOcc 0
14 mol 64 unq 1 iso 0 dist 7.49861 5.59746 7.66372 4.24381 9.05343 5.92555 numMergedOcc 0
15 mol 64 unq 2 iso 0 dist 6.2165 4.69203 7.76644 4.24381 7.71528 7.81738 numMergedOcc 0
16 mol 64 unq 3 iso 0 dist 6.2165 5.59746 9.99743 4.24381 7.71528 5.92555 numMergedOcc 0
17 mol 83 unq 0 iso 0 dist 7.88704 10.1307 8.49115 3.71967 9.98298 8.84888 numMergedOcc 0
18 mol 83 unq 1 iso 0 dist 7.88704 10.1307 8.49115 6.15397 7.55036 4.18675 numMergedOcc 0
19 mol 83 unq 2 iso 0 dist 7.88704 10.1307 8.49115 13.8225 8.32248 7.23248 numMergedOcc 0
20 mol 83 unq 3 iso 0 dist 6.55352 4.05107 8.49115 8.67453 9.98298 8.84888 numMergedOcc 0
21 mol 83 unq 4 iso 0 dist 6.55352 4.05107 8.49115 4.7741 7.55036 4.18675 numMergedOcc 0
22 mol 83 unq 5 iso 0 dist 6.55352 4.05107 8.49115 5.61725 8.32248 7.23248 numMergedOcc 0
23 mol 83 unq 6 iso 0 dist 9.05437 10.8153 8.49115 16.9252 9.98298 8.84888 numMergedOcc 0
24 mol 83 unq 7 iso 0 dist 9.05437 10.8153 8.49115 12.9907 7.55036 4.18675 numMergedOcc 0
25 mol 83 unq 8 iso 0 dist 9.05437 10.8153 8.49115 3.91658 8.32248 7.23248 numMergedOcc 0
26 mol 83 unq 9 iso 0 dist 9.00625 13.7522 8.49115 16.7395 9.98298 8.84888 numMergedOcc 0
27 mol 83 unq 10 iso 0 dist 9.00625 13.7522 8.49115 14.1991 7.55036 4.18675 numMergedOcc 0
28 mol 83 unq 11 iso 0 dist 9.00625 13.7522 8.49115 8.33755 8.32248 7.23248 numMergedOcc 0
29 mol 88 unq 0 iso 0 dist 5.4421 4.73269 8.10769 4.06971 9.05228 6.27699 numMergedOcc 0
30 mol 98 unq 0 iso 0 dist 8.04448 6.38409 4.3521 9.39313 5.24616 8.734 numMergedOcc 0
31 mol 98 unq 1 iso 0 dist 8.18252 17.3577 9.20236 3.8493 5.85622 14.7898 numMergedOcc 0
32 mol 98 unq 2 iso 0 dist 7.55531 15.2873 9.20236 3.78499 5.85622 14.7898 numMergedOcc 0
33 mol 110 unq 0 iso 0 dist 6.34794 4.37836 9.00302 3.78921 9.67207 6.12956 numMergedOcc 0
34 mol 151 unq 0 iso 0 dist 9.39452 15.0568 7.93343 8.95545 8.16646 8.30893 numMergedOcc 0
35 mol 151 unq 1 iso 0 dist 9.39452 14.3657 5.89468 8.95545 8.16646 10.4799 numMergedOcc 0
36 mol 154 unq 0 iso 0 dist 8.40395 4.10702 6.86189 5.37013 6.1247 6.89677 numMergedOcc 0
37 mol 154 unq 1 iso 0 dist 8.5081 11.6037 6.86189 11.9194 6.1247 6.89677 numMergedOcc 0
38 mol 172 unq 0 iso 0 dist 8.2809 4.73085 5.28889 8.78717 7.3485 9.6831 numMergedOcc 0
39 mol 172 unq 1 iso 0 dist 8.2809 12.2355 4.90175 8.78717 7.3485 7.16279 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 8.43256 8.07962 8.09309 10.3387 7.19751 3.92978 numMergedOcc 0
41 mol 175 unq 1 iso 0 dist 8.14202 5.22715 8.09309 7.28678 7.19751 3.92978 numMergedOcc 0
42 mol 233 unq 0 iso 0 dist 7.44436 6.68842 9.53639 3.4982 5.22629 4.93324 numMergedOcc 0
43 mol 241 unq 0 iso 0 dist 7.30582 8.94039 8.00841 8.48642 9.87415 8.58146 numMergedOcc 0
44 mol 279 unq 0 iso 0 dist 7.35799 12.7379 8.51994 11.2104 5.76793 6.55422 numMergedOcc 0
45 mol 279 unq 1 iso 0 dist 7.35799 12.7379 8.51994 9.14234 7.72276 6.12997 numMergedOcc 0
46 mol 283 unq 0 iso 0 dist 9.69083 6.50939 6.53354 13.6006 9.33601 9.76279 numMergedOcc 0
47 mol 283 unq 1 iso 0 dist 9.69083 14.2956 6.93798 13.6006 9.33601 7.97597 numMergedOcc 0
48 mol 283 unq 2 iso 0 dist 5.96202 4.89148 6.53354 6.35533 9.33601 9.76279 numMergedOcc 0
49 mol 283 unq 3 iso 0 dist 5.96202 4.01355 6.93798 6.35533 9.33601 7.97597 numMergedOcc 0
50 mol 283 unq 4 iso 0 dist 9.55068 5.57192 6.53354 13.9497 9.33601 9.76279 numMergedOcc 0
51 mol 283 unq 5 iso 0 dist 9.55068 9.29592 6.93798 13.9497 9.33601 7.97597 numMergedOcc 0
