0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 15.5737 9.68596 14.7759 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.83658 10.826 9.60499 4.91115 6.02702 8.43473 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.22805 6.96396 7.10621 13.6771 8.72114 13.8829 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 6.40513 5.9863 4.61088 4.54105 5.96346 6.86684 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.18518 14.1404 8.4674 10.5195 6.41575 4.64838 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 8.18518 6.57145 4.54938 10.5195 6.41575 4.97119 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 8.18518 6.01189 7.82074 10.5195 6.41575 6.01808 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 10.7574 7.33768 4.32034 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.85331 9.20254 6.86014 15.2995 9.01567 8.67951 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 6.85331 9.20254 6.86014 12.8157 7.29868 8.52463 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 6.35095 5.76725 5.54419 8.7316 8.70827 5.59311 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 6.35095 5.76725 5.54419 10.9987 6.73939 12.176 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 5.87895 5.75653 7.36323 5.076 9.12854 5.59311 numMergedOcc 0
13 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 14.4951 7.45383 7.33728 numMergedOcc 0
14 mol 25 unq 1 iso 0 dist 8.23292 12.4427 5.04899 6.39668 9.01548 13.9331 numMergedOcc 0
15 mol 41 unq 0 iso 0 dist 4.68793 5.72331 6.19529 8.68242 8.51663 8.94326 numMergedOcc 0
16 mol 59 unq 0 iso 0 dist 6.46655 8.94845 7.17396 7.02802 8.08618 6.90592 numMergedOcc 0
17 mol 59 unq 1 iso 0 dist 6.46655 6.32263 9.21998 7.02802 8.08618 7.6021 numMergedOcc 0
18 mol 75 unq 0 iso 0 dist 7.16583 6.77761 7.79912 6.05353 9.81166 11.4997 numMergedOcc 0
19 mol 75 unq 1 iso 0 dist 7.118 5.06305 7.79912 9.08979 9.81166 11.4997 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 8.26838 4.33346 9.03572 9.61054 9.49454 13.3662 numMergedOcc 0
21 mol 95 unq 1 iso 0 dist 8.26838 7.47119 8.83255 9.61054 9.49454 12.0666 numMergedOcc 0
22 mol 95 unq 2 iso 0 dist 8.26838 15.4217 8.03644 9.61054 9.49454 11.4333 numMergedOcc 0
23 mol 102 unq 0 iso 0 dist 9.0361 7.49575 7.36792 13.32 8.31932 7.42011 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 6.85677 4.99061 6.18601 5.00632 6.73586 5.13589 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 7.15203 5.38237 7.24514 5.86611 7.71248 4.34568 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 7.15203 9.71227 8.22656 5.86611 7.71248 10.6025 numMergedOcc 0
27 mol 133 unq 2 iso 0 dist 9.89098 8.96845 9.91388 11.7971 9.97654 4.34568 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 7.97208 12.5576 6.54501 15.4716 7.80532 7.41674 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 7.97208 9.52819 6.49416 15.4716 7.80532 9.87376 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 7.5984 5.11989 5.99315 11.4055 7.78652 6.48978 numMergedOcc 0
31 mol 143 unq 1 iso 0 dist 7.5984 5.11989 5.99315 9.54731 8.91301 5.20762 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 9.45659 5.73338 6.57069 14.0022 9.77896 8.29015 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.63295 12.5935 7.63312 14.1039 5.9176 5.63555 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 9.63295 12.5935 7.63312 5.39949 6.41453 7.20191 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 7.45401 6.8549 7.54065 6.0361 8.73217 11.7429 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 7.7292 13.4646 7.10633 16.5925 9.68728 7.67571 numMergedOcc 0
37 mol 204 unq 1 iso 0 dist 7.7292 9.54287 8.51516 16.5925 9.68728 10.8573 numMergedOcc 0
38 mol 206 unq 0 iso 0 dist 7.10166 5.15743 8.02137 14.2366 7.75885 12.7604 numMergedOcc 0
39 mol 206 unq 1 iso 0 dist 7.10166 13.609 9.774 14.2366 7.75885 6.45859 numMergedOcc 0
40 mol 206 unq 2 iso 0 dist 8.73396 6.35321 7.7366 11.3915 6.16414 6.45859 numMergedOcc 0
41 mol 206 unq 3 iso 0 dist 8.73396 6.35321 7.7366 7.26571 7.33701 4.40897 numMergedOcc 0
42 mol 206 unq 4 iso 0 dist 8.73396 6.35321 7.7366 6.33838 8.0871 7.62219 numMergedOcc 0
43 mol 206 unq 5 iso 0 dist 9.66896 15.7773 8.02137 5.91675 7.75885 12.7604 numMergedOcc 0
44 mol 206 unq 6 iso 0 dist 9.66896 12.0196 9.774 5.91675 7.75885 6.45859 numMergedOcc 0
45 mol 210 unq 0 iso 0 dist 6.53736 11.5481 6.18308 11.3924 7.10826 5.87279 numMergedOcc 0
46 mol 210 unq 1 iso 0 dist 8.18851 8.72811 6.18308 8.48795 7.10826 5.87279 numMergedOcc 0
47 mol 222 unq 0 iso 0 dist 8.69148 6.52189 8.01589 8.56453 7.67576 10.3151 numMergedOcc 0
48 mol 222 unq 1 iso 0 dist 8.69148 6.52189 8.01589 13.6076 9.82371 8.52017 numMergedOcc 0
49 mol 222 unq 2 iso 0 dist 8.69148 5.33282 7.7699 8.56453 7.67576 7.81022 numMergedOcc 0
50 mol 222 unq 3 iso 0 dist 8.69148 5.33282 7.7699 13.6076 9.82371 15.7504 numMergedOcc 0
51 mol 222 unq 4 iso 0 dist 8.69148 9.97859 7.21333 8.56453 7.67576 7.75656 numMergedOcc 0
52 mol 222 unq 5 iso 0 dist 8.69148 9.97859 7.21333 13.6076 9.82371 16.0949 numMergedOcc 0
53 mol 222 unq 6 iso 0 dist 7.27481 5.68063 6.00706 13.0565 9.07471 7.75466 numMergedOcc 0
54 mol 222 unq 7 iso 0 dist 7.27481 5.90074 7.54212 13.0565 9.07471 13.3447 numMergedOcc 0
55 mol 223 unq 0 iso 0 dist 9.94212 11.4946 8.77153 10.5593 7.48463 11.8654 numMergedOcc 0
56 mol 223 unq 1 iso 0 dist 9.94212 13.1422 8.6166 10.5593 7.48463 6.05524 numMergedOcc 0
57 mol 224 unq 0 iso 0 dist 7.04127 11.7724 9.40098 13.4507 9.51597 4.98993 numMergedOcc 0
58 mol 224 unq 1 iso 0 dist 7.04127 4.55824 6.61986 13.4507 9.51597 12.4692 numMergedOcc 0
59 mol 231 unq 0 iso 0 dist 9.98232 10.9863 7.37839 11.1156 7.79066 9.0443 numMergedOcc 0
60 mol 231 unq 1 iso 0 dist 9.98232 10.2117 8.40182 11.1156 7.79066 12.1512 numMergedOcc 0
61 mol 232 unq 0 iso 0 dist 7.47238 10.134 8.27212 15.5413 9.05071 8.80479 numMergedOcc 0
62 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 7.39099 7.98231 8.41846 numMergedOcc 0
63 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 7.39099 7.98231 8.81835 numMergedOcc 0
