0 mol 45 unq 0 iso 0 dist 7.06308 9.01651 8.59109 9.89212 9.44125 3.82801 11.2563 5.67689 9.20119 8.27463 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 6.34173 6.89191 8.59109 5.84319 9.44125 3.82801 7.58835 5.67689 9.20119 8.27463 numMergedOcc 0
2 mol 45 unq 2 iso 0 dist 9.43442 5.54436 8.59109 6.16709 9.44125 3.82801 11.5838 5.67689 9.20119 8.27463 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 9.33535 6.78077 8.80108 4.63196 8.88313 3.8375 10.1508 4.55117 6.40841 8.34191 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 9.33535 6.78077 8.80108 4.63196 8.88313 3.8375 13.9483 14.7581 7.58407 9.9779 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 9.33535 6.78077 8.80108 4.63196 8.88313 3.8375 12.7357 10.3782 6.31428 9.79064 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 9.33535 6.78077 8.80108 4.57635 5.48837 6.11446 10.1508 4.55117 6.40841 6.39747 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 9.33535 6.78077 8.80108 4.57635 5.48837 6.11446 13.9483 14.7581 7.58407 13.5879 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 9.33535 6.78077 8.80108 4.57635 5.48837 6.11446 12.7357 10.3782 6.31428 10.307 numMergedOcc 0
9 mol 58 unq 6 iso 0 dist 8.26899 6.75888 8.80108 8.44881 8.88313 3.8375 7.32874 4.55117 6.40841 8.34191 numMergedOcc 0
10 mol 58 unq 7 iso 0 dist 8.26899 6.75888 8.80108 8.44881 8.88313 3.8375 13.4544 14.7581 7.58407 9.9779 numMergedOcc 0
11 mol 58 unq 8 iso 0 dist 8.26899 6.75888 8.80108 8.44881 8.88313 3.8375 9.55426 10.3782 6.31428 9.79064 numMergedOcc 0
12 mol 58 unq 9 iso 0 dist 8.26899 6.75888 8.80108 4.25144 5.48837 6.11446 7.32874 4.55117 6.40841 6.39747 numMergedOcc 0
13 mol 58 unq 10 iso 0 dist 8.26899 6.75888 8.80108 4.25144 5.48837 6.11446 13.4544 14.7581 7.58407 13.5879 numMergedOcc 0
14 mol 58 unq 11 iso 0 dist 8.26899 6.75888 8.80108 4.25144 5.48837 6.11446 9.55426 10.3782 6.31428 10.307 numMergedOcc 0
15 mol 58 unq 12 iso 0 dist 9.58673 6.47744 7.01363 4.59417 8.98478 4.43437 6.86465 5.92889 8.63333 9.23438 numMergedOcc 0
16 mol 58 unq 13 iso 0 dist 9.58673 6.47744 7.01363 4.59417 8.98478 4.43437 6.35756 7.05413 8.89374 7.17488 numMergedOcc 0
17 mol 58 unq 14 iso 0 dist 9.58673 6.47744 7.01363 4.59417 8.98478 4.43437 10.3224 6.61756 6.46761 6.79356 numMergedOcc 0
18 mol 58 unq 15 iso 0 dist 9.58673 6.47744 7.01363 4.59417 8.98478 4.43437 15.4557 8.94672 9.73139 12.2384 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 8.68821 4.77056 7.36816 10.5728 9.26486 5.80637 10.1937 9.2907 8.71128 9.93438 numMergedOcc 0
20 mol 114 unq 1 iso 0 dist 8.68821 4.77056 7.36816 10.5728 9.26486 5.80637 7.35754 5.33327 7.52743 10.7946 numMergedOcc 0
21 mol 114 unq 2 iso 0 dist 7.12609 5.31865 7.36816 5.74761 9.26486 5.80637 12.4727 9.2907 8.71128 9.93438 numMergedOcc 0
22 mol 114 unq 3 iso 0 dist 7.12609 5.31865 7.36816 5.74761 9.26486 5.80637 10.473 5.33327 7.52743 10.7946 numMergedOcc 0
23 mol 127 unq 0 iso 0 dist 6.192 8.00931 6.3244 7.10019 9.70065 10.1788 17.6472 14.085 9.81878 17.6043 numMergedOcc 0
24 mol 127 unq 1 iso 0 dist 7.69308 6.85862 6.3244 3.51923 9.70065 10.1788 15.0647 14.085 9.81878 17.6043 numMergedOcc 0
25 mol 127 unq 2 iso 0 dist 8.59981 4.77464 6.3244 14.8455 9.70065 10.1788 9.30299 14.085 9.81878 17.6043 numMergedOcc 0
26 mol 127 unq 3 iso 0 dist 7.66331 7.11695 6.3244 14.6454 9.70065 10.1788 14.7391 14.085 9.81878 17.6043 numMergedOcc 0
27 mol 127 unq 4 iso 0 dist 9.81878 14.085 6.3244 12.7606 7.79077 6.92548 17.6472 8.00931 6.192 11.2241 numMergedOcc 0
28 mol 127 unq 5 iso 0 dist 9.81878 14.085 6.3244 12.7606 7.79077 6.92548 15.0647 6.85862 7.69308 13.1015 numMergedOcc 0
29 mol 127 unq 6 iso 0 dist 9.81878 14.085 6.3244 12.7606 7.79077 6.92548 9.30299 4.77464 8.59981 5.39356 numMergedOcc 0
30 mol 127 unq 7 iso 0 dist 9.81878 14.085 6.3244 12.7606 7.79077 6.92548 14.7391 7.11695 7.66331 5.01504 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 6.71012 8.25067 9.40622 11.618 7.61421 10.4087 9.15386 11.6919 9.6668 17.4077 numMergedOcc 0
32 mol 213 unq 0 iso 0 dist 8.45368 11.1059 8.74171 9.90805 7.77553 8.90887 16.7686 11.1063 6.68292 11.8641 numMergedOcc 0
33 mol 213 unq 1 iso 0 dist 9.59129 12.2579 8.74171 4.67313 7.77553 8.90887 12.9274 11.1063 6.68292 11.8641 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 7.17547 10.2673 6.75035 14.5747 8.5244 6.19774 10.9501 7.47048 8.53199 7.84952 numMergedOcc 0
35 mol 218 unq 1 iso 0 dist 7.13323 6.60235 6.75035 11.7256 8.5244 6.19774 12.8943 7.47048 8.53199 7.84952 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 9.5707 5.56749 8.49841 12.7879 5.69634 11.8096 10.3625 5.9221 6.16063 9.7221 numMergedOcc 0
37 mol 235 unq 0 iso 0 dist 8.21247 10.6981 7.27958 4.75609 9.11149 9.32678 11.3258 6.43692 5.65339 12.2745 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 7.20082 6.26168 6.34801 8.19606 9.82674 3.89756 7.00034 7.04058 7.39747 10.8831 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 9.19234 14.168 8.49866 4.60007 9.85661 15.8795 10.7806 5.31116 6.50589 13.2967 numMergedOcc 0
