0 mol 7 unq 0 iso 0 dist 8.41585 5.99972 12.0193 5.99459 6.88805 6.12483 6.06176 6.36911 10.6471 8.81608 numMergedOcc 0
1 mol 7 unq 1 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
2 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 9.49421 13.6145 9.62058 4.70708 9.43699 10.7875 8.53931 numMergedOcc 0
3 mol 25 unq 1 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
4 mol 25 unq 2 iso 0 dist 7.57578 6.16347 9.34396 9.48085 5.18617 9.62058 12.1492 12.8446 10.7875 8.53931 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 7.57578 7.92503 6.11127 9.48085 5.18617 10.2758 12.1492 12.8446 16.6259 8.53931 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 7.17969 6.16347 10.8498 9.48085 5.68041 9.62058 12.1492 11.7303 10.7875 8.53931 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 7.17969 7.92503 5.30154 9.48085 5.68041 10.2758 12.1492 11.7303 16.6259 8.53931 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 8.8178 9.27838 15.434 7.12321 4.27726 14.005 9.0131 13.3133 13.1462 9.14817 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 9.96708 9.27838 11.6378 7.12321 7.47371 14.005 9.0131 7.321 13.1462 9.14817 numMergedOcc 0
10 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
11 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
12 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
13 mol 119 unq 0 iso 0 dist 8.73993 6.52773 7.20179 7.64052 9.68677 5.37917 10.0197 14.0269 11.1099 6.13374 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.73993 6.52773 7.20179 7.64052 9.68677 5.37917 10.6679 9.63176 11.8717 9.08536 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 8.73993 9.23858 9.89358 7.64052 9.68677 15.7711 10.0197 14.0269 18.7646 6.13374 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 8.73993 9.23858 9.89358 7.64052 9.68677 15.7711 10.6679 9.63176 15.8603 9.08536 numMergedOcc 0
17 mol 119 unq 4 iso 0 dist 9.87172 9.11344 10.9441 6.99446 6.20019 5.37917 6.35763 6.19042 11.1099 6.13374 numMergedOcc 0
18 mol 119 unq 5 iso 0 dist 9.87172 9.11344 10.9441 6.99446 6.20019 5.37917 7.36192 7.44174 11.8717 9.08536 numMergedOcc 0
19 mol 119 unq 6 iso 0 dist 6.18601 8.00003 10.4376 8.95212 4.39676 12.3661 10.3457 8.43904 16.109 6.13374 numMergedOcc 0
20 mol 119 unq 7 iso 0 dist 6.18601 8.00003 10.4376 8.95212 4.39676 12.3661 16.7975 13.4411 19.5351 9.08536 numMergedOcc 0
21 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
22 mol 134 unq 1 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
23 mol 134 unq 2 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
24 mol 134 unq 3 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
25 mol 134 unq 4 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
26 mol 134 unq 5 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
27 mol 134 unq 6 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
28 mol 143 unq 0 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
29 mol 143 unq 1 iso 0 dist 5.99315 7.78652 6.48978 7.36975 13.1926 12.207 5.44503 9.93541 13.204 8.18023 numMergedOcc 0
30 mol 143 unq 2 iso 0 dist 5.99315 7.78652 6.48978 5.40637 7.39837 10.0079 5.44503 9.93541 13.204 7.46803 numMergedOcc 0
31 mol 143 unq 3 iso 0 dist 5.99315 8.91301 5.20762 7.36975 13.1926 14.7271 6.01455 9.27292 10.1154 7.05845 numMergedOcc 0
32 mol 143 unq 4 iso 0 dist 5.99315 8.91301 5.20762 7.36975 13.1926 14.7271 5.44503 9.93541 13.8861 8.18023 numMergedOcc 0
33 mol 143 unq 5 iso 0 dist 5.99315 8.91301 5.20762 5.40637 7.39837 9.05366 5.44503 9.93541 13.8861 7.46803 numMergedOcc 0
34 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
35 mol 167 unq 1 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
36 mol 181 unq 0 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
37 mol 181 unq 1 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
38 mol 181 unq 2 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
39 mol 181 unq 3 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
40 mol 181 unq 4 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
41 mol 181 unq 5 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
42 mol 238 unq 0 iso 0 dist 5.72887 9.24557 14.7883 9.72188 7.06793 17.1065 15.5674 15.9735 18.5467 9.84652 numMergedOcc 0
43 mol 259 unq 0 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
