0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 9.67081 8.29174 16.5238 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.65806 9.56794 6.05328 9.67081 8.29174 11.9068 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 7.78327 13.5229 10.6558 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 7.78327 13.5229 13.5227 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 5.54419 4.93188 4.33963 8.23075 6.7846 4.21283 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 5.54419 4.93188 4.33963 4.7841 8.03955 4.97191 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 7.31767 5.81959 7.63409 7.03372 7.23535 6.32857 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 6.03987 5.81959 8.4666 7.03372 9.92243 6.32857 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.34347 8.44506 13.2876 7.98005 12.5438 12.4814 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 8.34347 8.44506 13.2876 8.31381 8.39015 15.4838 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 8.80331 9.93832 9.06158 7.39848 9.86609 6.59887 numMergedOcc 0
11 mol 52 unq 0 iso 0 dist 9.80098 9.66501 4.88603 6.22221 8.88455 7.92666 numMergedOcc 0
12 mol 52 unq 1 iso 0 dist 7.34143 9.66501 12.277 6.22221 9.53385 7.92666 numMergedOcc 0
13 mol 58 unq 0 iso 0 dist 6.64012 7.27383 6.37648 6.79356 5.87468 6.21346 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 8.70481 8.85586 14.8866 7.37171 15.1432 12.6176 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 8.70481 7.11 8.05119 7.37171 15.1432 14.2305 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 9.01812 8.37717 4.06365 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 7.95579 7.33422 6.82174 8.04242 5.76272 9.09756 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 6.19965 7.33422 7.91778 8.04242 8.18948 9.09756 numMergedOcc 0
19 mol 85 unq 3 iso 0 dist 7.66905 7.33422 10.121 8.04242 14.113 9.09756 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 9.33898 6.61823 6.08245 8.85601 17.4771 13.129 numMergedOcc 0
21 mol 92 unq 1 iso 0 dist 9.33898 6.49956 6.86728 8.85601 17.4771 12.8901 numMergedOcc 0
22 mol 92 unq 2 iso 0 dist 9.64443 6.61823 7.24315 8.85601 10.2467 13.129 numMergedOcc 0
23 mol 92 unq 3 iso 0 dist 9.64443 6.49956 12.163 8.85601 10.2467 12.8901 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 7.92856 8.29813 8.67903 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 6.48948 7.26086 13.4985 7.92856 13.2057 8.67903 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 6.10456 7.26086 6.934 7.92856 12.7473 8.67903 numMergedOcc 0
27 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 6.87434 4.69658 4.25001 numMergedOcc 0
28 mol 114 unq 0 iso 0 dist 7.5732 6.34525 11.128 9.93438 6.25685 13.7162 numMergedOcc 0
29 mol 120 unq 0 iso 0 dist 8.75408 8.93905 7.27181 6.42623 5.6295 9.23272 numMergedOcc 0
30 mol 120 unq 1 iso 0 dist 8.75408 8.93905 7.27181 8.95899 8.97962 14.3708 numMergedOcc 0
31 mol 120 unq 2 iso 0 dist 6.44653 8.93905 10.5192 6.42623 3.824 9.23272 numMergedOcc 0
32 mol 120 unq 3 iso 0 dist 6.44653 8.93905 10.5192 8.95899 4.96885 14.3708 numMergedOcc 0
33 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.80895 11.6692 9.6795 numMergedOcc 0
34 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 8.99891 9.14188 7.87644 numMergedOcc 0
35 mol 143 unq 1 iso 0 dist 5.99315 7.63338 12.8872 8.99891 9.14188 13.5899 numMergedOcc 0
36 mol 143 unq 2 iso 0 dist 5.99315 9.03707 7.76364 8.99891 9.14188 9.13604 numMergedOcc 0
37 mol 143 unq 3 iso 0 dist 5.99315 7.25673 9.23795 8.99891 9.14188 12.6218 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 5.87555 8.35555 5.59336 6.79114 4.68615 4.78989 numMergedOcc 0
39 mol 152 unq 1 iso 0 dist 5.87555 8.35555 5.59336 7.59457 4.73288 9.43672 numMergedOcc 0
40 mol 152 unq 2 iso 0 dist 8.87437 8.35555 10.9728 6.79114 9.35878 4.78989 numMergedOcc 0
41 mol 152 unq 3 iso 0 dist 8.87437 8.35555 10.9728 7.59457 4.70284 9.43672 numMergedOcc 0
42 mol 152 unq 4 iso 0 dist 8.56324 9.77552 9.35627 7.55934 9.73449 6.69469 numMergedOcc 0
43 mol 175 unq 0 iso 0 dist 9.29945 5.4969 12.3408 9.19156 13.8965 6.41193 numMergedOcc 0
44 mol 175 unq 1 iso 0 dist 9.29945 6.4318 8.68081 9.19156 13.8965 10.568 numMergedOcc 0
45 mol 175 unq 2 iso 0 dist 9.29945 7.35824 12.5754 9.19156 13.8965 14.7729 numMergedOcc 0
46 mol 175 unq 3 iso 0 dist 9.29945 9.17364 10.0424 9.19156 13.8965 18.0583 numMergedOcc 0
47 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 4.72821 4.69387 8.56547 numMergedOcc 0
48 mol 178 unq 1 iso 0 dist 6.43573 4.92088 8.27339 4.72821 3.70233 8.56547 numMergedOcc 0
49 mol 178 unq 2 iso 0 dist 7.17202 4.92088 9.79302 4.72821 7.39705 8.56547 numMergedOcc 0
50 mol 178 unq 3 iso 0 dist 8.81551 4.92088 8.65097 4.72821 9.77268 8.56547 numMergedOcc 0
51 mol 205 unq 0 iso 0 dist 7.26832 5.60393 5.28092 7.13783 13.3822 12.0319 numMergedOcc 0
52 mol 206 unq 0 iso 0 dist 8.02137 8.70977 6.3188 6.23183 8.20841 11.5047 numMergedOcc 0
53 mol 206 unq 1 iso 0 dist 9.774 8.70977 9.9412 6.23183 7.83734 11.5047 numMergedOcc 0
54 mol 210 unq 0 iso 0 dist 6.18308 5.37446 9.59996 6.85824 4.29623 7.61953 numMergedOcc 0
55 mol 214 unq 0 iso 0 dist 8.82096 8.46327 10.2399 9.06459 4.15355 13.3401 numMergedOcc 0
56 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 8.25985 4.04428 6.20756 numMergedOcc 0
57 mol 232 unq 1 iso 0 dist 8.27212 7.83711 8.25884 9.27788 4.22149 11.7554 numMergedOcc 0
58 mol 248 unq 0 iso 0 dist 7.69895 6.17052 5.99459 7.79063 6.19721 4.91893 numMergedOcc 0
59 mol 248 unq 1 iso 0 dist 7.21521 9.77666 5.99459 9.64778 6.19721 4.91893 numMergedOcc 0
60 mol 253 unq 0 iso 0 dist 6.73034 9.66465 6.89124 8.94786 8.57513 3.15936 numMergedOcc 0
61 mol 253 unq 1 iso 0 dist 6.73034 9.66465 6.89124 9.1927 6.0222 5.26612 numMergedOcc 0
62 mol 253 unq 2 iso 0 dist 6.73034 9.66465 6.89124 9.60694 6.93212 13.8016 numMergedOcc 0
63 mol 253 unq 3 iso 0 dist 6.73034 9.66465 6.89124 9.27311 10.2118 16.4545 numMergedOcc 0
64 mol 258 unq 0 iso 0 dist 6.97229 8.15467 11.6066 7.12221 6.24714 8.34189 numMergedOcc 0
65 mol 258 unq 1 iso 0 dist 6.97229 8.15467 11.6066 5.4557 4.02333 10.6472 numMergedOcc 0
66 mol 261 unq 0 iso 0 dist 8.45658 8.60026 6.04016 8.24356 11.4108 11.1232 numMergedOcc 0
67 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 9.83622 4.24652 8.10746 numMergedOcc 0
68 mol 274 unq 1 iso 0 dist 7.56915 8.49922 9.27829 9.83622 4.24652 13.2205 numMergedOcc 0
69 mol 274 unq 2 iso 0 dist 8.49997 9.56685 12.106 9.83622 7.38951 8.10746 numMergedOcc 0
70 mol 274 unq 3 iso 0 dist 8.49997 8.49922 12.9674 9.83622 7.38951 13.2205 numMergedOcc 0
