0 mol 7 unq 0 iso 0 dist 6.02702 15.9584 9.97624 10.2465 5.5683 8.81608 11.8172 8.72114 10.515 9.67164 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.02702 15.9584 9.97624 10.2465 5.5683 8.81608 15.8875 10.3148 6.06176 5.99459 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.72114 10.515 9.97624 9.67164 5.5683 8.81608 12.2041 10.3148 6.06176 5.99459 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 7.48342 6.29685 6.50647 9.84471 5.20798 9.51568 11.7498 6.42748 6.67334 8.85174 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 9.01548 4.70708 6.63839 9.49421 5.38592 8.53931 10.9391 13.8469 12.1492 9.48085 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 9.53378 5.54436 5.55096 10.7109 4.06745 5.81001 11.3176 9.49841 7.39653 5.94756 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 8.80614 13.9007 7.6481 12.8149 5.45005 8.13051 16.4188 12.9819 10.3598 9.97769 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 8.80614 13.9007 7.6481 12.8149 5.45005 8.13051 16.3145 11.3538 6.00578 9.32706 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 8.80614 13.9007 7.6481 12.8149 5.45005 8.13051 9.94737 9.86039 11.6697 9.08221 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 7.56205 11.7069 6.04903 9.69044 4.09232 9.1062 8.62608 4.74544 5.49555 6.9103 numMergedOcc 0
10 mol 62 unq 1 iso 0 dist 4.74544 5.49555 6.04903 6.9103 4.09232 9.1062 8.62608 7.56205 11.7069 9.69044 numMergedOcc 0
11 mol 67 unq 0 iso 0 dist 9.49144 13.2018 9.0008 11.1957 5.26394 8.96498 10.6676 11.6703 10.331 8.3733 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 6.7117 8.70415 6.0129 9.81956 3.92737 4.44979 18.6405 12.5931 12.0058 9.64383 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 6.7117 8.70415 6.0129 9.81956 3.92737 4.44979 8.40073 4.47349 10.0962 7.54889 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 6.7117 8.70415 6.0129 9.81956 3.92737 4.44979 10.2427 5.65185 11.2452 7.78931 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 6.7117 8.70415 6.0129 5.10496 3.94967 6.61111 9.51923 9.42961 9.74284 5.92242 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 6.7117 8.70415 6.0129 5.10496 3.94967 6.61111 8.40073 4.47349 10.0962 5.2571 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 6.7117 8.70415 6.0129 5.10496 3.94967 6.61111 10.2427 5.65185 11.2452 8.7497 numMergedOcc 0
18 mol 98 unq 6 iso 0 dist 4.47349 10.0962 6.0129 7.54889 3.92737 4.44979 13.659 12.5931 12.0058 9.64383 numMergedOcc 0
19 mol 98 unq 7 iso 0 dist 4.47349 10.0962 6.0129 7.54889 3.92737 4.44979 5.02887 5.65185 11.2452 7.78931 numMergedOcc 0
20 mol 98 unq 8 iso 0 dist 4.47349 10.0962 6.0129 5.2571 3.94967 6.61111 8.40073 6.7117 8.70415 5.10496 numMergedOcc 0
21 mol 98 unq 9 iso 0 dist 4.47349 10.0962 6.0129 5.2571 3.94967 6.61111 9.42358 9.42961 9.74284 5.92242 numMergedOcc 0
22 mol 98 unq 10 iso 0 dist 4.47349 10.0962 6.0129 5.2571 3.94967 6.61111 5.02887 5.65185 11.2452 8.7497 numMergedOcc 0
23 mol 98 unq 11 iso 0 dist 5.65185 11.2452 6.0129 7.78931 3.92737 4.44979 14.591 12.5931 12.0058 9.64383 numMergedOcc 0
24 mol 98 unq 12 iso 0 dist 5.65185 11.2452 6.0129 7.78931 3.92737 4.44979 5.02887 4.47349 10.0962 7.54889 numMergedOcc 0
25 mol 98 unq 13 iso 0 dist 5.65185 11.2452 6.0129 8.7497 3.94967 6.61111 10.2427 6.7117 8.70415 5.10496 numMergedOcc 0
26 mol 98 unq 14 iso 0 dist 5.65185 11.2452 6.0129 8.7497 3.94967 6.61111 13.9786 9.42961 9.74284 5.92242 numMergedOcc 0
27 mol 98 unq 15 iso 0 dist 5.65185 11.2452 6.0129 8.7497 3.94967 6.61111 5.02887 4.47349 10.0962 5.2571 numMergedOcc 0
28 mol 114 unq 0 iso 0 dist 6.84011 8.88748 5.79343 10.2365 4.08391 5.51885 14.154 9.39063 6.95201 5.7144 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 9.22232 12.0863 8.21165 12.5855 12.3375 8.55349 8.18495 12.7901 9.53782 8.77023 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 7.69991 6.69989 8.55616 12.4385 11.5269 6.44575 9.04023 12.1214 5.31077 6.42772 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 7.69991 6.69989 8.55616 12.4385 11.5269 6.44575 11.3271 9.94764 6.74887 9.1998 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 7.69991 6.69989 8.55616 12.4385 11.5269 6.44575 17.1857 15.049 10.9715 8.70621 numMergedOcc 0
33 mol 134 unq 3 iso 0 dist 7.69991 6.69989 8.55616 11.2896 6.93712 7.43401 5.00526 6.23142 5.3585 9.33094 numMergedOcc 0
34 mol 134 unq 4 iso 0 dist 7.69991 6.69989 8.55616 11.2896 6.93712 7.43401 11.3271 9.94764 6.74887 8.69531 numMergedOcc 0
35 mol 134 unq 5 iso 0 dist 6.23142 5.3585 8.55616 11.0808 11.5269 6.44575 10.1584 12.1214 5.31077 6.42772 numMergedOcc 0
36 mol 134 unq 6 iso 0 dist 6.23142 5.3585 8.55616 11.0808 11.5269 6.44575 6.81259 9.94764 6.74887 9.1998 numMergedOcc 0
37 mol 134 unq 7 iso 0 dist 6.23142 5.3585 8.55616 11.0808 11.5269 6.44575 13.4122 15.049 10.9715 8.70621 numMergedOcc 0
38 mol 134 unq 8 iso 0 dist 6.23142 5.3585 8.55616 9.33094 6.93712 7.43401 6.81259 9.94764 6.74887 8.69531 numMergedOcc 0
39 mol 134 unq 9 iso 0 dist 9.94764 6.74887 8.55616 9.1998 11.5269 6.44575 11.6064 12.1214 5.31077 6.42772 numMergedOcc 0
40 mol 134 unq 10 iso 0 dist 9.94764 6.74887 8.55616 9.1998 11.5269 6.44575 7.09823 15.049 10.9715 8.70621 numMergedOcc 0
41 mol 134 unq 11 iso 0 dist 9.94764 6.74887 8.55616 8.69531 6.93712 7.43401 6.81259 6.23142 5.3585 9.33094 numMergedOcc 0
42 mol 167 unq 0 iso 0 dist 9.67741 6.36909 7.80054 7.02548 5.95858 7.30954 4.70068 11.6896 7.69326 6.84752 numMergedOcc 0
43 mol 167 unq 1 iso 0 dist 9.67741 6.36909 7.80054 7.02548 5.95858 7.30954 10.3445 12.8466 9.46955 7.86563 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 5.94469 6.7991 7.05653 9.01624 11.9796 6.76746 11.5866 14.8638 8.35755 5.05973 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 7.98231 11.6195 8.71497 14.2242 7.57379 8.84648 15.8535 10.4552 5.31048 8.03219 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 7.98231 11.6195 8.71497 10.3406 4.47425 6.23661 6.96053 7.08526 5.79468 5.85442 numMergedOcc 0
47 mol 259 unq 2 iso 0 dist 7.98231 11.6195 8.71497 10.3406 4.47425 6.23661 15.8535 10.4552 5.31048 6.9899 numMergedOcc 0
48 mol 259 unq 3 iso 0 dist 7.08526 5.79468 8.71497 11.7465 7.57379 8.84648 9.98105 10.4552 5.31048 8.03219 numMergedOcc 0
49 mol 259 unq 4 iso 0 dist 7.08526 5.79468 8.71497 5.85442 4.47425 6.23661 9.98105 10.4552 5.31048 6.9899 numMergedOcc 0
50 mol 279 unq 0 iso 0 dist 7.23721 5.34838 9.24367 10.2562 9.85432 6.0283 11.9492 13.337 7.69081 6.35028 numMergedOcc 0
51 mol 287 unq 0 iso 0 dist 8.91712 4.62998 5.59555 13.0848 5.97664 8.59762 10.9208 9.65934 7.23534 7.45616 numMergedOcc 0
52 mol 288 unq 0 iso 0 dist 8.91712 4.62998 5.59555 13.0848 5.97664 8.59762 10.9208 9.65934 7.23534 7.45616 numMergedOcc 0
53 mol 289 unq 0 iso 0 dist 8.91712 4.62998 5.59555 13.0848 5.97664 8.59762 10.9208 9.65934 7.23534 7.45616 numMergedOcc 0
54 mol 292 unq 0 iso 0 dist 9.88863 5.98906 5.7131 11.3379 5.93687 5.84792 17.5233 14.0184 12.1551 9.46442 numMergedOcc 0
55 mol 292 unq 1 iso 0 dist 9.88863 5.98906 5.7131 14.1177 9.40023 8.73515 22.7051 19.2773 18.0293 9.9182 numMergedOcc 0
56 mol 292 unq 2 iso 0 dist 9.88863 5.98906 5.7131 14.1177 9.40023 8.73515 17.5233 14.0184 12.1551 7.30758 numMergedOcc 0
57 mol 292 unq 3 iso 0 dist 9.88863 5.98906 5.7131 14.1177 9.40023 8.73515 12.8217 14.6101 10.8709 9.10788 numMergedOcc 0
