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 10.789 7.31201 13.6379 14.144 numMergedOcc 0
2 mol 7 unq 2 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
3 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 7.95042 5.69214 10.0453 5.39241 9.75144 13.2857 11.8884 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.03987 6.85556 5.68392 7.99919 4.77954 6.19011 10.3635 7.685 9.71382 12.201 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.62496 5.93884 5.78774 9.22598 9.87158 5.66912 10.2241 9.58673 13.7654 15.7229 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.35756 7.68678 5.78774 8.96727 9.87158 5.66912 7.05413 9.58673 13.7654 15.7229 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 6.35756 7.68678 5.78774 8.01308 5.86526 5.76523 7.05413 9.58673 13.7654 12.8612 numMergedOcc 0
8 mol 72 unq 0 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
9 mol 85 unq 0 iso 0 dist 6.19965 7.54568 8.09967 7.7068 4.41789 4.93735 11.6116 9.47876 11.8261 10.7558 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 7.66905 7.54568 4.65335 7.7068 5.59906 4.93735 11.6116 7.22293 11.8261 10.7558 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 7.47343 7.38135 11.2312 7.82475 5.9143 7.55779 15.209 7.75343 18.081 11.3652 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 7.47343 7.38135 11.2312 5.35782 5.47563 8.00947 15.209 7.75343 18.081 12.1809 numMergedOcc 0
13 mol 119 unq 0 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
14 mol 119 unq 1 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
15 mol 119 unq 2 iso 0 dist 9.87172 9.11344 10.9441 6.99446 6.20019 5.37917 11.7228 9.38288 17.5912 12.4009 numMergedOcc 0
16 mol 119 unq 3 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
17 mol 119 unq 4 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
18 mol 119 unq 5 iso 0 dist 6.18601 8.00003 10.4376 8.95212 4.39676 12.3661 9.35964 9.80862 16.6554 9.56225 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 134 unq 0 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
21 mol 134 unq 1 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
22 mol 134 unq 2 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
23 mol 134 unq 3 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
24 mol 134 unq 4 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
25 mol 134 unq 5 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
26 mol 134 unq 6 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
27 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
28 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
29 mol 181 unq 2 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
30 mol 181 unq 3 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
31 mol 181 unq 4 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
32 mol 181 unq 5 iso 0 dist 7.63312 5.94469 12.5387 6.64173 10.6474 4.98436 4.80231 6.93764 10.6207 10.9785 numMergedOcc 0
33 mol 181 unq 6 iso 0 dist 7.63312 5.94469 12.5387 9.01624 5.93724 11.9796 4.80231 6.93764 10.6207 10.1634 numMergedOcc 0
34 mol 181 unq 7 iso 0 dist 7.63312 5.94469 12.5387 9.55105 5.12833 12.3589 4.80231 6.93764 10.6207 10.9567 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 7.54212 9.07471 13.3447 6.74196 12.8595 4.67663 7.61682 7.18956 16.4961 14.2305 numMergedOcc 0
36 mol 222 unq 1 iso 0 dist 7.54212 9.07471 13.3447 8.36842 12.5866 6.37382 7.61682 7.18956 16.4961 14.562 numMergedOcc 0
37 mol 222 unq 2 iso 0 dist 7.54212 9.07471 13.3447 9.75472 11.9567 6.31322 7.61682 7.18956 16.4961 15.6152 numMergedOcc 0
38 mol 259 unq 0 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
39 mol 259 unq 1 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
40 mol 259 unq 2 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
