0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 15.9584 13.2603 9.97624 10.2465 13.6105 5.5683 8.81608 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 8.72114 13.8829 10.515 9.36807 9.97624 9.67164 13.156 5.5683 8.81608 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 8.38064 7.48342 4.39605 6.29685 10.2062 6.50647 9.84471 5.49251 5.20798 9.51568 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 9.97507 7.48342 12.1303 6.29685 15.3099 6.50647 9.84471 13.7602 5.20798 9.51568 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 5.04899 9.01548 13.9331 4.70708 9.43699 6.63839 9.49421 13.6145 5.38592 8.53931 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 6.19529 8.51663 8.94326 5.0364 9.68811 6.42834 11.3157 16.6482 11.5146 7.29079 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.86465 8.80614 10.2049 13.9007 17.4911 7.6481 12.8149 13.5805 5.45005 8.13051 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 6.62496 8.80614 9.95364 13.9007 16.3613 7.6481 12.8149 14.8349 5.45005 8.13051 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 6.35756 8.80614 5.49591 13.9007 12.7237 7.6481 12.8149 10.0669 5.45005 8.13051 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 8.70415 10.417 6.0129 9.81956 10.4782 3.92737 4.44979 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.08437 6.7117 7.06961 8.70415 10.417 6.0129 5.10496 3.9764 3.94967 6.61111 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 10.0962 10.417 6.0129 7.54889 10.4782 3.92737 4.44979 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 6.10456 4.47349 7.06961 10.0962 10.417 6.0129 5.2571 3.9764 3.94967 6.61111 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 7.5732 6.84011 7.436 8.88748 11.5084 5.79343 10.2365 11.3271 4.08391 5.51885 numMergedOcc 0
14 mol 126 unq 0 iso 0 dist 6.06638 6.30546 6.0268 7.01257 7.75534 7.36017 8.96947 5.42561 3.9234 8.7789 numMergedOcc 0
15 mol 126 unq 1 iso 0 dist 6.06638 6.30546 6.0268 7.01257 7.75534 7.36017 11.4624 10.7549 5.50104 9.93613 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 7.11802 9.22232 16.0138 12.0863 16.3407 8.21165 12.5855 15.0115 12.3375 8.55349 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 7.11802 9.22661 5.92062 4.68409 7.92688 6.51868 13.5288 14.8533 10.0161 9.10003 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 7.11802 7.56378 6.61891 4.68409 7.92688 7.34698 13.5288 14.8533 11.7838 9.10003 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 6.69989 12.7291 8.55616 12.4385 15.5729 11.5269 6.44575 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 6.69989 12.7291 8.55616 11.2896 10.6898 6.93712 7.43401 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 6.54501 7.69991 5.71679 6.69989 10.9685 8.55616 12.4385 15.9138 11.5269 6.44575 numMergedOcc 0
22 mol 134 unq 3 iso 0 dist 6.54501 7.69991 5.71679 6.69989 10.9685 8.55616 11.2896 12.3479 6.93712 7.43401 numMergedOcc 0
23 mol 134 unq 4 iso 0 dist 8.94367 6.23142 4.57832 5.3585 11.2292 8.55616 11.0808 12.8086 11.5269 6.44575 numMergedOcc 0
24 mol 134 unq 5 iso 0 dist 8.94367 6.23142 4.57832 5.3585 11.2292 8.55616 9.33094 7.41373 6.93712 7.43401 numMergedOcc 0
25 mol 134 unq 6 iso 0 dist 6.37586 6.23142 5.29786 5.3585 10.9613 8.55616 11.0808 15.0225 11.5269 6.44575 numMergedOcc 0
26 mol 134 unq 7 iso 0 dist 6.37586 6.23142 5.29786 5.3585 10.9613 8.55616 9.33094 10.8635 6.93712 7.43401 numMergedOcc 0
27 mol 134 unq 8 iso 0 dist 6.49416 6.23142 5.71679 5.3585 10.9685 8.55616 11.0808 15.9138 11.5269 6.44575 numMergedOcc 0
28 mol 134 unq 9 iso 0 dist 6.49416 6.23142 5.71679 5.3585 10.9685 8.55616 9.33094 12.3479 6.93712 7.43401 numMergedOcc 0
29 mol 134 unq 10 iso 0 dist 9.86662 9.94764 4.57832 6.74887 11.2292 8.55616 9.1998 12.8086 11.5269 6.44575 numMergedOcc 0
30 mol 134 unq 11 iso 0 dist 9.86662 9.94764 4.57832 6.74887 11.2292 8.55616 8.69531 7.41373 6.93712 7.43401 numMergedOcc 0
31 mol 134 unq 12 iso 0 dist 9.71307 9.94764 5.29786 6.74887 10.9613 8.55616 9.1998 15.0225 11.5269 6.44575 numMergedOcc 0
32 mol 134 unq 13 iso 0 dist 9.71307 9.94764 5.29786 6.74887 10.9613 8.55616 8.69531 10.8635 6.93712 7.43401 numMergedOcc 0
33 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 6.01455 9.27292 6.46089 7.36975 13.1926 12.207 7.05845 numMergedOcc 0
34 mol 167 unq 0 iso 0 dist 9.87651 9.67741 13.0123 6.36909 15.1367 7.80054 7.20495 7.87971 5.43662 9.1326 numMergedOcc 0
35 mol 167 unq 1 iso 0 dist 9.87651 9.67741 13.0123 6.36909 15.1367 7.80054 7.02548 11.6011 5.95858 7.30954 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 7.81386 5.94469 7.77758 6.7991 4.93785 7.05653 6.64173 6.8757 4.98436 9.09234 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 7.81386 5.94469 7.77758 6.7991 4.93785 7.05653 9.01624 5.71898 11.9796 6.76746 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 7.81386 5.94469 7.77758 6.7991 4.93785 7.05653 9.55105 5.83796 12.3589 8.92098 numMergedOcc 0
39 mol 181 unq 3 iso 0 dist 7.63312 5.94469 12.5387 6.7991 10.1232 7.05653 6.64173 10.6474 4.98436 9.09234 numMergedOcc 0
40 mol 181 unq 4 iso 0 dist 7.63312 5.94469 12.5387 6.7991 10.1232 7.05653 9.01624 5.93724 11.9796 6.76746 numMergedOcc 0
41 mol 181 unq 5 iso 0 dist 7.63312 5.94469 12.5387 6.7991 10.1232 7.05653 9.55105 5.12833 12.3589 8.92098 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 9.34734 5.41321 10.7656 6.43754 12.4085 7.57454 9.91384 10.012 12.8337 7.79951 numMergedOcc 0
43 mol 227 unq 1 iso 0 dist 7.22101 5.41321 10.9607 6.43754 8.17891 7.57454 9.91384 4.1511 12.8337 7.79951 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 8.65997 5.41321 9.72615 6.43754 6.95902 7.57454 9.91384 4.69247 12.8337 7.79951 numMergedOcc 0
45 mol 227 unq 3 iso 0 dist 7.56888 5.41321 5.10635 6.43754 11.004 7.57454 9.91384 13.4494 12.8337 7.79951 numMergedOcc 0
46 mol 227 unq 4 iso 0 dist 7.55216 5.41321 6.48027 6.43754 12.8864 7.57454 9.91384 15.7786 12.8337 7.79951 numMergedOcc 0
47 mol 234 unq 0 iso 0 dist 8.41436 7.32499 10.7902 5.9221 13.651 7.43663 8.84746 16.268 11.1693 8.27411 numMergedOcc 0
48 mol 234 unq 1 iso 0 dist 8.41436 7.32499 10.7902 5.9221 13.651 7.43663 11.1846 16.6139 10.7351 6.96257 numMergedOcc 0
49 mol 234 unq 2 iso 0 dist 8.92474 7.32499 4.4288 5.9221 10.521 7.43663 8.84746 15.0244 11.1693 8.27411 numMergedOcc 0
50 mol 234 unq 3 iso 0 dist 8.92474 7.32499 4.4288 5.9221 10.521 7.43663 11.1846 12.0765 10.7351 6.96257 numMergedOcc 0
51 mol 238 unq 0 iso 0 dist 5.72887 9.24557 14.7883 11.9142 16.5748 8.09718 19.192 22.7668 15.3328 8.69525 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 8.13497 7.98231 8.41846 11.6195 10.9591 8.71497 14.2242 9.91939 7.57379 8.84648 numMergedOcc 0
53 mol 259 unq 1 iso 0 dist 8.13497 7.98231 8.41846 11.6195 10.9591 8.71497 10.3406 11.4598 4.47425 6.23661 numMergedOcc 0
54 mol 259 unq 2 iso 0 dist 7.88519 7.98231 8.81835 11.6195 7.48005 8.71497 14.2242 10.282 7.57379 8.84648 numMergedOcc 0
55 mol 259 unq 3 iso 0 dist 7.88519 7.98231 8.81835 11.6195 7.48005 8.71497 10.3406 10.067 4.47425 6.23661 numMergedOcc 0
56 mol 259 unq 4 iso 0 dist 7.46176 7.08526 8.81835 5.79468 7.48005 8.71497 11.7465 10.282 7.57379 8.84648 numMergedOcc 0
57 mol 259 unq 5 iso 0 dist 7.46176 7.08526 8.81835 5.79468 7.48005 8.71497 5.85442 10.067 4.47425 6.23661 numMergedOcc 0
