0 mol 16 unq 0 iso 0 dist 5.59641 6.04965 5.58451 5.8404 8.86163 4.86568 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.59641 6.32791 5.59769 5.28404 8.47315 4.7319 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.03281 8.46842 9.36442 13.3513 16.0243 7.57578 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.03281 8.46842 9.36442 14.4516 14.4726 7.17969 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.26742 9.07927 13.8914 6.44262 12.7733 7.31767 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 9.26742 8.50987 15.924 6.44262 12.7733 6.03987 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 8.68139 9.73896 8.57764 5.84852 10.8201 6.43774 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 8.68139 6.96797 5.05383 5.84852 10.8201 7.2846 numMergedOcc 0
8 mol 45 unq 2 iso 0 dist 8.68139 6.96797 5.05383 6.5822 11.032 7.58835 numMergedOcc 0
9 mol 51 unq 0 iso 0 dist 4.97772 5.67627 5.27155 11.4974 13.9156 9.0709 numMergedOcc 0
10 mol 52 unq 0 iso 0 dist 8.52059 8.52979 6.55558 11.4352 11.8328 9.80098 numMergedOcc 0
11 mol 52 unq 1 iso 0 dist 8.52059 8.52979 6.55558 14.6092 9.90304 7.34143 numMergedOcc 0
12 mol 52 unq 2 iso 0 dist 9.99694 8.52979 6.86126 11.4352 15.6506 9.80098 numMergedOcc 0
13 mol 52 unq 3 iso 0 dist 9.99694 8.52979 6.86126 14.6092 12.0739 7.34143 numMergedOcc 0
14 mol 54 unq 0 iso 0 dist 9.90537 7.89001 11.9881 12.2366 6.59893 9.5589 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 8.11268 7.09258 7.06403 10.0936 12.2812 9.78528 numMergedOcc 0
16 mol 94 unq 0 iso 0 dist 8.92072 8.13248 10.4772 4.83621 12.5665 7.89459 numMergedOcc 0
17 mol 101 unq 0 iso 0 dist 5.58941 7.42893 5.16122 5.81947 8.77773 6.57035 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 9.51379 9.06272 15.0369 8.2292 17.1622 9.61051 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 9.51379 9.06272 15.0369 10.7142 18.7148 5.83384 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 9.63478 9.45717 11.1611 4.28997 9.4473 6.82262 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 7.38809 6.94983 13.6402 5.08111 9.36645 8.27212 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 9.79506 8.58958 6.00143 16.0172 12.2364 8.34494 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 9.79506 8.58958 6.00143 14.7629 10.6898 6.56247 numMergedOcc 0
24 mol 234 unq 2 iso 0 dist 9.79506 8.58958 6.00143 13.5847 14.5683 9.36357 numMergedOcc 0
25 mol 234 unq 3 iso 0 dist 9.79506 7.17987 9.8423 14.7629 10.6898 9.45496 numMergedOcc 0
26 mol 234 unq 4 iso 0 dist 9.79506 7.17987 9.8423 13.5847 14.5683 6.7625 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 5.50501 6.67907 5.74377 5.81354 8.77254 8.04248 numMergedOcc 0
28 mol 236 unq 1 iso 0 dist 5.50501 6.0087 10.054 11.2678 16.0921 8.03456 numMergedOcc 0
29 mol 236 unq 2 iso 0 dist 5.50501 6.0087 10.054 12.338 16.2964 6.84306 numMergedOcc 0
30 mol 236 unq 3 iso 0 dist 5.50501 6.0087 10.054 12.431 17.6586 9.99038 numMergedOcc 0
31 mol 236 unq 4 iso 0 dist 5.50501 6.0087 10.054 8.71933 13.4564 9.78037 numMergedOcc 0
32 mol 236 unq 5 iso 0 dist 5.50501 6.0087 10.054 5.81354 8.77254 8.35971 numMergedOcc 0
33 mol 249 unq 0 iso 0 dist 7.34573 9.14351 9.82483 12.1004 15.3404 7.57994 numMergedOcc 0
34 mol 249 unq 1 iso 0 dist 7.34573 9.14351 9.82483 9.40115 11.128 6.18582 numMergedOcc 0
35 mol 279 unq 0 iso 0 dist 8.2905 9.60619 9.40038 9.96126 15.7772 9.70696 numMergedOcc 0
36 mol 279 unq 1 iso 0 dist 9.47256 9.60619 14.0595 9.96126 18.8428 9.70696 numMergedOcc 0
