0 mol 2 unq 0 iso 0 dist 7.58285 6.85459 7.64304 6.07772 8.80146 3.89238 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 9.78177 18.2661 8.63486 14.4015 5.07125 6.15355 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 7.03635 10.6193 8.63486 4.67834 5.07125 6.15355 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.39494 5.4527 8.03303 6.02262 7.69861 8.96557 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.16531 14.5206 9.81831 6.38065 7.8435 16.1023 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 8.16531 14.5206 9.81831 9.63231 5.99269 13.1721 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 8.16531 14.5206 9.81831 13.1685 5.71763 9.34182 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 8.16531 10.2104 9.12858 6.38065 7.8435 12.4934 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 8.16531 10.2104 9.12858 9.63231 5.99269 11.0537 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 8.16531 10.2104 9.12858 13.1685 5.71763 12.0103 numMergedOcc 0
10 mol 93 unq 6 iso 0 dist 8.16531 12.7325 9.4523 6.38065 7.8435 10.8106 numMergedOcc 0
11 mol 93 unq 7 iso 0 dist 8.16531 12.7325 9.4523 9.63231 5.99269 7.14217 numMergedOcc 0
12 mol 93 unq 8 iso 0 dist 8.16531 12.7325 9.4523 13.1685 5.71763 12.9351 numMergedOcc 0
13 mol 93 unq 9 iso 0 dist 8.98593 10.145 9.81831 16.5618 7.8435 16.1023 numMergedOcc 0
14 mol 93 unq 10 iso 0 dist 8.98593 10.145 9.81831 14.6083 5.99269 13.1721 numMergedOcc 0
15 mol 93 unq 11 iso 0 dist 8.98593 10.145 9.81831 4.18667 5.71763 9.34182 numMergedOcc 0
16 mol 93 unq 12 iso 0 dist 8.98593 13.574 9.12858 16.5618 7.8435 12.4934 numMergedOcc 0
17 mol 93 unq 13 iso 0 dist 8.98593 13.574 9.12858 14.6083 5.99269 11.0537 numMergedOcc 0
18 mol 93 unq 14 iso 0 dist 8.98593 13.574 9.12858 4.18667 5.71763 12.0103 numMergedOcc 0
19 mol 93 unq 15 iso 0 dist 8.98593 16.236 9.4523 16.5618 7.8435 10.8106 numMergedOcc 0
20 mol 93 unq 16 iso 0 dist 8.98593 16.236 9.4523 14.6083 5.99269 7.14217 numMergedOcc 0
21 mol 93 unq 17 iso 0 dist 8.98593 16.236 9.4523 4.18667 5.71763 12.9351 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 8.02258 14.4768 6.69515 3.60945 6.77921 13.2918 numMergedOcc 0
23 mol 141 unq 1 iso 0 dist 8.02258 13.0477 7.86572 3.60945 6.77921 13.4066 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 9.3516 10.5062 8.35555 9.91319 7.1069 4.94983 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 6.64084 9.91097 7.88319 9.87921 6.11331 13.7172 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 5.14185 5.09291 9.11712 5.35456 8.999 4.00127 numMergedOcc 0
27 mol 195 unq 0 iso 0 dist 7.92844 9.70055 6.60567 9.93408 6.34234 5.41635 numMergedOcc 0
28 mol 195 unq 1 iso 0 dist 7.92844 9.70055 6.60567 4.3166 7.87972 11.9954 numMergedOcc 0
29 mol 195 unq 2 iso 0 dist 7.92844 9.9116 7.62942 9.93408 6.34234 6.04871 numMergedOcc 0
30 mol 195 unq 3 iso 0 dist 7.92844 9.9116 7.62942 4.3166 7.87972 8.04534 numMergedOcc 0
31 mol 210 unq 0 iso 0 dist 5.6524 5.92474 7.63018 13.7436 9.14831 11.3763 numMergedOcc 0
32 mol 212 unq 0 iso 0 dist 4.72269 7.1502 8.57827 7.52135 5.50658 6.47488 numMergedOcc 0
33 mol 212 unq 1 iso 0 dist 4.72269 5.3615 6.29767 7.52135 5.50658 3.9436 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 5.8679 7.34507 8.86175 5.66276 8.04838 3.8877 numMergedOcc 0
35 mol 218 unq 1 iso 0 dist 5.8679 4.79566 6.29511 5.66276 8.04838 6.0516 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 5.98014 10.6512 9.2581 11.1253 7.97027 9.01393 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 5.98014 10.6512 9.2581 6.07403 6.81955 6.25425 numMergedOcc 0
38 mol 222 unq 2 iso 0 dist 5.98014 10.6512 9.2581 5.10026 4.9876 5.64455 numMergedOcc 0
39 mol 222 unq 3 iso 0 dist 5.98014 5.03763 9.62632 11.1253 7.97027 13.3586 numMergedOcc 0
40 mol 222 unq 4 iso 0 dist 5.98014 5.03763 9.62632 6.07403 6.81955 5.16212 numMergedOcc 0
41 mol 222 unq 5 iso 0 dist 5.98014 5.03763 9.62632 5.10026 4.9876 5.9478 numMergedOcc 0
42 mol 222 unq 6 iso 0 dist 5.98014 4.81992 7.862 11.1253 7.97027 8.84507 numMergedOcc 0
43 mol 222 unq 7 iso 0 dist 5.98014 4.81992 7.862 6.07403 6.81955 8.67203 numMergedOcc 0
44 mol 222 unq 8 iso 0 dist 5.98014 4.81992 7.862 5.10026 4.9876 6.02502 numMergedOcc 0
45 mol 230 unq 0 iso 0 dist 6.86851 12.2372 6.41286 5.84974 7.07833 9.70574 numMergedOcc 0
46 mol 230 unq 1 iso 0 dist 9.88392 9.33469 6.41286 9.40036 7.07833 9.70574 numMergedOcc 0
47 mol 236 unq 0 iso 0 dist 5.6241 7.45579 8.50331 4.58625 9.14068 11.5307 numMergedOcc 0
48 mol 237 unq 0 iso 0 dist 7.61091 12.5237 7.42587 11.9278 8.7414 6.01528 numMergedOcc 0
49 mol 276 unq 0 iso 0 dist 4.92907 7.18694 6.70215 4.95754 7.49391 4.51728 numMergedOcc 0
50 mol 276 unq 1 iso 0 dist 4.92907 5.55879 7.25423 4.95754 7.49391 5.45206 numMergedOcc 0
51 mol 276 unq 2 iso 0 dist 4.92907 5.49958 7.88706 4.95754 7.49391 9.33434 numMergedOcc 0
52 mol 276 unq 3 iso 0 dist 4.92907 11.4256 7.23916 4.95754 7.49391 12.2368 numMergedOcc 0
53 mol 279 unq 0 iso 0 dist 9.56438 10.3409 8.29305 5.75039 5.8304 6.5644 numMergedOcc 0
54 mol 279 unq 1 iso 0 dist 9.56438 10.3409 8.29305 15.4744 7.37478 8.70069 numMergedOcc 0
55 mol 279 unq 2 iso 0 dist 9.56438 12.3922 6.43341 5.75039 5.8304 9.40912 numMergedOcc 0
56 mol 279 unq 3 iso 0 dist 9.56438 12.3922 6.43341 15.4744 7.37478 4.14939 numMergedOcc 0
