0 mol 7 unq 0 iso 0 dist 7.10621 8.72114 13.8829 9.67164 13.156 5.5683 10.515 9.36807 9.97624 8.81608 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 5.04899 9.01548 13.9331 7.52933 5.03027 15.1255 4.70708 9.43699 6.63839 11.598 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 5.04899 9.01548 13.9331 6.55597 4.69295 13.4321 4.70708 9.43699 6.63839 11.1095 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 5.04899 9.01548 13.9331 9.71956 12.2542 8.84447 4.70708 9.43699 6.63839 11.6083 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 5.04899 9.01548 13.9331 7.07751 8.79309 9.66912 4.70708 9.43699 6.63839 10.1706 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 5.04899 9.01548 13.9331 8.23761 8.17061 13.1117 4.70708 9.43699 6.63839 11.6932 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 5.04899 9.01548 13.9331 9.49421 13.6145 5.38592 4.70708 9.43699 6.63839 8.53931 numMergedOcc 0
7 mol 25 unq 6 iso 0 dist 6.03987 6.85556 5.68392 7.99919 4.77954 6.19011 5.09159 10.7177 9.62401 12.6237 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 8.66265 7.16773 6.63327 9.03564 6.75591 9.76482 6.28202 11.465 5.84875 13.0532 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 5.10496 3.9764 3.94967 8.70415 10.417 6.0129 6.61111 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 6.10456 4.47349 7.06961 7.54889 10.4782 3.92737 10.0962 10.417 6.0129 4.44979 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 5.2571 3.9764 3.94967 10.0962 10.417 6.0129 6.61111 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.94367 6.23142 4.57832 9.33094 7.41373 6.93712 5.3585 11.2292 8.55616 7.43401 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 8.94367 6.23142 4.57832 9.33094 7.41373 6.93712 5.41704 8.79571 8.73604 11.7151 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 6.37586 6.23142 5.29786 9.33094 10.8635 6.93712 5.3585 10.9613 8.55616 7.43401 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 6.37586 6.23142 5.29786 9.33094 10.8635 6.93712 5.41704 5.42582 8.73604 11.7151 numMergedOcc 0
16 mol 134 unq 4 iso 0 dist 6.49416 6.23142 5.71679 9.33094 12.3479 6.93712 5.3585 10.9685 8.55616 7.43401 numMergedOcc 0
17 mol 134 unq 5 iso 0 dist 6.49416 6.23142 5.71679 9.33094 12.3479 6.93712 5.41704 8.6355 8.73604 11.7151 numMergedOcc 0
18 mol 134 unq 6 iso 0 dist 9.86662 9.94764 4.57832 9.1998 12.8086 11.5269 6.74887 11.2292 8.55616 6.44575 numMergedOcc 0
19 mol 134 unq 7 iso 0 dist 9.86662 9.94764 4.57832 9.1998 12.8086 11.5269 6.17103 8.79571 8.73604 14.0978 numMergedOcc 0
20 mol 134 unq 8 iso 0 dist 9.86662 9.94764 4.57832 8.69531 7.41373 6.93712 6.74887 11.2292 8.55616 7.43401 numMergedOcc 0
21 mol 134 unq 9 iso 0 dist 9.86662 9.94764 4.57832 8.69531 7.41373 6.93712 6.17103 8.79571 8.73604 11.7151 numMergedOcc 0
22 mol 134 unq 10 iso 0 dist 9.71307 9.94764 5.29786 9.1998 15.0225 11.5269 6.74887 10.9613 8.55616 6.44575 numMergedOcc 0
23 mol 134 unq 11 iso 0 dist 9.71307 9.94764 5.29786 9.1998 15.0225 11.5269 6.17103 5.42582 8.73604 14.0978 numMergedOcc 0
24 mol 134 unq 12 iso 0 dist 9.71307 9.94764 5.29786 8.69531 10.8635 6.93712 6.74887 10.9613 8.55616 7.43401 numMergedOcc 0
25 mol 134 unq 13 iso 0 dist 9.71307 9.94764 5.29786 8.69531 10.8635 6.93712 6.17103 5.42582 8.73604 11.7151 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 7.36975 13.1926 12.207 10.0989 9.60643 6.97487 13.3985 numMergedOcc 0
27 mol 143 unq 1 iso 0 dist 5.99315 7.78652 6.48978 7.36975 13.1926 12.207 6.01455 9.27292 6.46089 7.05845 numMergedOcc 0
28 mol 143 unq 2 iso 0 dist 5.99315 7.78652 6.48978 5.40637 7.39837 10.0079 10.0989 9.60643 6.97487 14.6265 numMergedOcc 0
29 mol 143 unq 3 iso 0 dist 5.99315 7.78652 6.48978 5.40637 7.39837 10.0079 6.01455 9.27292 6.46089 10.55 numMergedOcc 0
30 mol 167 unq 0 iso 0 dist 9.87651 9.67741 13.0123 7.20495 7.87971 5.43662 6.36909 15.1367 7.80054 9.1326 numMergedOcc 0
31 mol 167 unq 1 iso 0 dist 9.87651 9.67741 13.0123 9.2289 12.0033 8.91275 6.36909 15.1367 7.80054 10.5288 numMergedOcc 0
32 mol 167 unq 2 iso 0 dist 9.87651 9.67741 13.0123 7.02548 11.6011 5.95858 6.36909 15.1367 7.80054 7.30954 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 9.76212 12.9532 6.39406 6.25083 6.94688 9.06217 14.5897 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 9.1374 6.2479 6.6251 9.76212 12.9532 6.39406 4.77278 6.71012 7.13252 12.3788 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 8.03334 6.2479 7.81713 9.76212 6.50233 6.39406 6.25083 12.1309 9.06217 14.5897 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 8.03334 6.2479 7.81713 9.76212 6.50233 6.39406 4.77278 12.2058 7.13252 12.3788 numMergedOcc 0
37 mol 181 unq 4 iso 0 dist 7.81386 5.94469 7.77758 6.64173 6.8757 4.98436 6.7991 4.93785 7.05653 9.09234 numMergedOcc 0
38 mol 181 unq 5 iso 0 dist 7.81386 5.94469 7.77758 9.01624 5.71898 11.9796 6.7991 4.93785 7.05653 6.76746 numMergedOcc 0
39 mol 181 unq 6 iso 0 dist 7.81386 5.94469 7.77758 9.55105 5.83796 12.3589 6.7991 4.93785 7.05653 8.92098 numMergedOcc 0
40 mol 181 unq 7 iso 0 dist 7.63312 5.94469 12.5387 6.64173 10.6474 4.98436 6.7991 10.1232 7.05653 9.09234 numMergedOcc 0
41 mol 181 unq 8 iso 0 dist 7.63312 5.94469 12.5387 9.01624 5.93724 11.9796 6.7991 10.1232 7.05653 6.76746 numMergedOcc 0
42 mol 181 unq 9 iso 0 dist 7.63312 5.94469 12.5387 9.55105 5.12833 12.3589 6.7991 10.1232 7.05653 8.92098 numMergedOcc 0
43 mol 186 unq 0 iso 0 dist 7.54065 8.73217 11.7429 6.61112 11.0961 4.03697 11.7299 17.7634 9.84492 10.5584 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 5.72887 9.24557 14.7883 9.72188 7.06793 17.1065 11.0401 14.1514 8.90076 17.0286 numMergedOcc 0
45 mol 238 unq 1 iso 0 dist 5.72887 9.24557 14.7883 9.72188 7.06793 17.1065 8.85181 13.9989 6.87131 18.3572 numMergedOcc 0
46 mol 238 unq 2 iso 0 dist 5.72887 9.24557 14.7883 9.72188 7.06793 17.1065 11.9142 16.5748 8.09718 21.4884 numMergedOcc 0
47 mol 259 unq 0 iso 0 dist 8.13497 7.98231 8.41846 9.46361 12.2293 4.10176 11.6195 10.9591 8.71497 9.43105 numMergedOcc 0
48 mol 259 unq 1 iso 0 dist 7.88519 7.98231 8.81835 9.46361 11.6988 4.10176 11.6195 7.48005 8.71497 9.43105 numMergedOcc 0
49 mol 259 unq 2 iso 0 dist 7.46176 7.08526 8.81835 5.85442 10.067 4.47425 5.79468 7.48005 8.71497 6.23661 numMergedOcc 0
50 mol 259 unq 3 iso 0 dist 7.46176 7.08526 8.81835 6.95511 11.6988 4.10176 5.79468 7.48005 8.71497 9.43105 numMergedOcc 0
