0 mol 19 unq 0 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 4.44441 7.7312 10.1278 6.38574 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 10.0411 7.7312 14.2009 17.3652 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 10.0411 7.7312 14.2009 15.6781 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 10.0411 7.7312 14.2009 6.38574 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 10.0411 7.7312 10.1278 17.3652 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 10.0411 7.7312 10.1278 15.6781 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 10.0411 7.7312 10.1278 6.38574 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 9.83618 10.4442 9.49077 9.86609 7.39848 11.4251 16.4643 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 5.84319 8.27463 12.3849 9.44125 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 8.26899 5.98837 4.55117 4.25144 7.4785 6.39747 5.48837 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 8.26899 5.98837 10.3782 4.25144 7.4785 10.307 5.48837 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 7.32874 6.81627 5.47421 8.26899 4.55117 5.98837 8.44881 8.34191 12.1872 8.88313 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 7.32874 6.81627 5.47421 8.26899 4.55117 5.98837 4.25144 6.39747 7.4785 5.48837 numMergedOcc 0
13 mol 58 unq 4 iso 0 dist 7.32874 9.55426 5.90225 8.26899 4.55117 10.3782 8.44881 8.34191 9.79064 8.88313 numMergedOcc 0
14 mol 58 unq 5 iso 0 dist 7.32874 9.55426 5.90225 8.26899 4.55117 10.3782 4.25144 6.39747 10.307 5.48837 numMergedOcc 0
15 mol 58 unq 6 iso 0 dist 6.86465 6.62496 5.30792 9.58673 5.92889 10.2241 4.59417 9.23438 9.9105 8.98478 numMergedOcc 0
16 mol 58 unq 7 iso 0 dist 6.86465 6.35756 5.35073 9.58673 5.92889 7.05413 4.59417 9.23438 7.17488 8.98478 numMergedOcc 0
17 mol 58 unq 8 iso 0 dist 6.35756 6.86465 5.35073 9.58673 7.05413 5.92889 4.59417 7.17488 9.23438 8.98478 numMergedOcc 0
18 mol 58 unq 9 iso 0 dist 6.35756 6.62496 4.81926 9.58673 7.05413 10.2241 4.59417 7.17488 9.9105 8.98478 numMergedOcc 0
19 mol 58 unq 10 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 10.5901 9.4278 16.824 19.1225 numMergedOcc 0
20 mol 58 unq 11 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 10.5901 9.4278 16.824 13.2217 numMergedOcc 0
21 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 10.7434 4.86198 6.62699 10.3769 numMergedOcc 0
22 mol 72 unq 1 iso 0 dist 9.78528 9.96708 8.24309 7.321 6.11922 9.0131 10.7434 6.62699 4.86198 10.3769 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 4.73407 6.23522 11.3218 7.78587 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 4.73407 6.23522 12.8353 7.78587 numMergedOcc 0
25 mol 75 unq 0 iso 0 dist 7.79912 8.56639 5.64643 5.15851 10.0425 11.8774 4.74027 9.16597 11.7473 7.30467 numMergedOcc 0
26 mol 75 unq 1 iso 0 dist 7.79912 8.59017 10.4899 5.15851 10.0425 10.0372 4.74027 9.16597 13.2779 7.30467 numMergedOcc 0
27 mol 85 unq 0 iso 0 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 8.18948 8.04242 11.5901 16.5125 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 14.113 8.04242 11.5901 16.5125 numMergedOcc 0
29 mol 85 unq 2 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 14.113 8.04242 17.4114 16.5125 numMergedOcc 0
30 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 9.2603 6.95868 6.97239 10.8406 9.07128 10.3871 15.0007 numMergedOcc 0
31 mol 88 unq 1 iso 0 dist 9.36773 8.31336 5.57085 9.2603 6.95868 6.97239 4.47193 6.65615 5.07548 9.08952 numMergedOcc 0
32 mol 88 unq 2 iso 0 dist 8.31336 9.36773 5.57085 9.2603 6.97239 6.95868 4.47193 5.07548 6.65615 9.08952 numMergedOcc 0
33 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 4.05822 8.04118 8.39035 5.69323 numMergedOcc 0
34 mol 142 unq 1 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 4.05822 8.04118 11.6454 5.69323 numMergedOcc 0
35 mol 142 unq 2 iso 0 dist 5.31024 7.26382 5.50998 9.07935 9.49653 7.53854 4.7832 8.04118 8.39035 5.69323 numMergedOcc 0
36 mol 142 unq 3 iso 0 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 4.05822 8.39035 8.04118 5.69323 numMergedOcc 0
37 mol 142 unq 4 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 4.05822 8.39035 11.6454 5.69323 numMergedOcc 0
38 mol 142 unq 5 iso 0 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 4.7832 8.39035 8.04118 5.69323 numMergedOcc 0
39 mol 152 unq 0 iso 0 dist 8.56324 6.70283 7.65448 9.13561 5.99333 8.25411 9.73449 7.55934 11.2397 12.999 numMergedOcc 0
40 mol 152 unq 1 iso 0 dist 8.56324 7.16148 10.6875 9.13561 5.99333 7.89109 9.73449 7.55934 15.1951 12.999 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 7.26832 6.03031 7.38516 9.19704 6.23291 8.66809 13.3822 7.13783 13.3708 12.4189 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 9.19704 6.23291 13.231 13.3822 7.13783 20.4298 12.4189 numMergedOcc 0
43 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 6.07192 6.48757 5.51827 6.19721 7.79063 9.64778 10.7209 numMergedOcc 0
44 mol 248 unq 1 iso 0 dist 7.69895 8.2965 10.8081 6.07192 6.48757 9.29921 6.19721 7.79063 11.1716 10.7209 numMergedOcc 0
45 mol 248 unq 2 iso 0 dist 7.21521 7.69895 5.55137 6.07192 5.51827 6.48757 6.19721 9.64778 7.79063 10.7209 numMergedOcc 0
46 mol 248 unq 3 iso 0 dist 7.21521 8.2965 5.86196 6.07192 5.51827 9.29921 6.19721 9.64778 11.1716 10.7209 numMergedOcc 0
47 mol 261 unq 0 iso 0 dist 8.45658 9.14619 7.00201 7.47164 5.22253 7.49174 11.4108 8.24356 12.3855 12.8776 numMergedOcc 0
