0 mol 9 unq 0 iso 0 dist 6.85412 9.62394 4.45625 5.60154 9.29529 9.57198 8.57077 8.27962 9.5997 8.47421 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.33889 9.62394 6.0397 5.60154 7.2199 9.57198 8.57077 11.4878 9.5997 8.47421 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 8.21493 7.07399 6.33828 5.01321 8.96967 10.7313 10.4158 5.51916 8.72342 9.78051 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 9.43442 9.53378 8.70414 5.54436 8.59109 5.55096 11.5838 5.67689 10.7082 9.20119 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.26899 7.21955 10.8421 6.75888 8.80108 8.71468 7.32874 4.55117 7.12541 6.40841 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 8.26899 7.21955 10.8421 6.75888 8.80108 8.71468 13.4544 14.7581 11.387 7.58407 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 8.26899 7.21955 10.8421 6.75888 8.80108 8.71468 9.55426 10.3782 5.74871 6.31428 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 9.58673 8.80614 8.88332 6.47744 7.01363 9.11258 6.86465 5.92889 10.2049 8.63333 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 9.58673 8.80614 8.88332 6.47744 7.01363 9.11258 6.35756 7.05413 5.49591 8.89374 numMergedOcc 0
9 mol 58 unq 5 iso 0 dist 9.58673 8.80614 8.88332 6.47744 7.01363 9.11258 10.3224 6.61756 5.85698 6.46761 numMergedOcc 0
10 mol 58 unq 6 iso 0 dist 9.58673 8.80614 8.88332 6.47744 7.01363 9.11258 15.4557 8.94672 12.2123 9.73139 numMergedOcc 0
11 mol 58 unq 7 iso 0 dist 8.63333 9.92355 12.0055 5.92889 7.01363 13.7654 6.86465 6.47744 5.78774 9.58673 numMergedOcc 0
12 mol 58 unq 8 iso 0 dist 8.89374 7.68678 12.0055 7.05413 7.01363 13.7654 6.35756 6.47744 5.78774 9.58673 numMergedOcc 0
13 mol 59 unq 0 iso 0 dist 8.24062 6.73347 7.0313 5.33688 6.5096 9.2902 7.71095 5.3525 9.64444 6.71911 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 6.77912 9.27838 4.67641 9.0131 9.19459 13.1462 9.96708 7.11552 11.6378 7.321 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 8.71128 6.84011 9.23527 9.2907 7.36816 10.1333 10.1937 4.77056 13.1763 8.68821 numMergedOcc 0
16 mol 114 unq 1 iso 0 dist 8.71128 6.84011 9.23527 9.2907 7.36816 10.1333 12.4727 5.31865 10.639 7.12609 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 9.87281 8.69157 7.6506 5.48883 6.51096 9.0529 12.1555 4.9093 10.4923 7.16254 numMergedOcc 0
18 mol 155 unq 1 iso 0 dist 9.87281 8.69157 7.6506 5.48883 6.51096 9.0529 12.3052 6.3437 6.89781 9.14392 numMergedOcc 0
19 mol 155 unq 2 iso 0 dist 7.39644 6.53347 6.40403 5.40375 7.37901 7.55196 13.5605 13.5062 10.4923 9.86313 numMergedOcc 0
20 mol 155 unq 3 iso 0 dist 7.39644 6.53347 6.40403 5.40375 7.37901 7.55196 10.7829 8.27726 6.89781 7.51198 numMergedOcc 0
21 mol 155 unq 4 iso 0 dist 7.36102 7.92304 5.50045 6.34186 7.37901 9.80845 10.2463 13.5062 11.0769 9.86313 numMergedOcc 0
22 mol 155 unq 5 iso 0 dist 7.36102 7.92304 5.50045 6.34186 7.37901 9.80845 6.43582 8.27726 5.50031 7.51198 numMergedOcc 0
23 mol 155 unq 6 iso 0 dist 8.27111 8.69157 6.00473 5.48883 8.73171 9.0529 12.1555 10.7896 10.4923 7.16254 numMergedOcc 0
24 mol 155 unq 7 iso 0 dist 8.27111 8.69157 6.00473 5.48883 8.73171 9.0529 12.3052 9.99927 6.89781 9.14392 numMergedOcc 0
25 mol 156 unq 0 iso 0 dist 8.47155 6.30021 10.0003 9.30783 6.90155 13.7525 10.4649 6.29785 11.9952 6.27641 numMergedOcc 0
26 mol 156 unq 1 iso 0 dist 9.36805 9.44367 10.143 7.29758 6.90155 5.81122 7.44554 6.29785 5.4555 6.27641 numMergedOcc 0
27 mol 156 unq 2 iso 0 dist 9.36805 9.47433 10.0003 7.29758 6.90155 13.7525 7.44554 6.29785 11.9952 6.27641 numMergedOcc 0
28 mol 156 unq 3 iso 0 dist 6.27641 9.4013 5.05683 6.29785 6.90155 10.735 10.4649 9.30783 8.63358 8.47155 numMergedOcc 0
29 mol 156 unq 4 iso 0 dist 6.27641 9.4013 5.05683 6.29785 6.90155 10.735 7.44554 7.29758 5.71511 9.36805 numMergedOcc 0
30 mol 156 unq 5 iso 0 dist 6.27641 9.4013 5.05683 6.29785 6.90155 10.735 9.83699 4.53931 5.80008 7.55203 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 6.94688 8.90963 4.43678 8.25067 8.20656 5.95304 9.15386 6.80228 9.34211 9.6668 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 6.71012 8.90963 6.03415 8.25067 9.40622 5.95304 9.15386 11.6919 9.34211 9.6668 numMergedOcc 0
33 mol 213 unq 0 iso 0 dist 9.59129 7.37798 12.1116 12.2579 8.74171 18.2483 12.9274 11.1063 18.5594 6.68292 numMergedOcc 0
34 mol 213 unq 1 iso 0 dist 9.59129 7.73322 9.93085 12.2579 8.74171 9.1514 12.9274 11.1063 6.03469 6.68292 numMergedOcc 0
35 mol 218 unq 0 iso 0 dist 7.17547 6.1951 7.21048 10.2673 6.75035 13.3317 10.9501 7.47048 12.1554 8.53199 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 6.16063 6.30154 5.70413 5.9221 8.49841 11.6166 10.3625 5.56749 10.998 9.5707 numMergedOcc 0
37 mol 234 unq 1 iso 0 dist 6.16063 7.32499 7.17691 5.9221 8.49841 7.43663 10.3625 5.56749 10.0059 9.5707 numMergedOcc 0
38 mol 235 unq 0 iso 0 dist 5.65339 6.21292 7.96337 6.43692 7.27958 12.1942 11.3258 10.6981 16.707 8.21247 numMergedOcc 0
39 mol 235 unq 1 iso 0 dist 5.65339 6.95126 4.29892 6.43692 7.27958 7.95766 11.3258 10.6981 7.60081 8.21247 numMergedOcc 0
40 mol 239 unq 0 iso 0 dist 7.39747 9.01021 5.2908 7.04058 6.34801 10.9156 7.00034 6.26168 10.0842 7.20082 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 9.19234 9.45514 12.625 14.168 8.49866 12.6896 10.7806 5.31116 9.5468 6.50589 numMergedOcc 0
42 mol 274 unq 1 iso 0 dist 9.19234 6.39866 4.60275 14.168 8.49866 11.838 10.7806 5.31116 6.70925 6.50589 numMergedOcc 0
