0 mol 7 unq 0 iso 0 dist 8.72114 9.67164 5.5683 10.515 9.97624 8.81608 12.2041 10.3148 5.99459 6.06176 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.01548 9.49421 5.38592 4.70708 6.63839 8.53931 10.9391 13.8469 9.48085 12.1492 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 7.56205 9.69044 4.09232 11.7069 6.04903 9.1062 8.62608 4.74544 6.9103 5.49555 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 4.74544 6.9103 4.09232 5.49555 6.04903 9.1062 8.62608 7.56205 9.69044 11.7069 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 8.70415 6.0129 6.61111 9.51923 9.42961 5.92242 9.74284 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 6.7117 5.10496 3.94967 8.70415 6.0129 6.61111 8.40073 4.47349 5.2571 10.0962 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 6.7117 5.10496 3.94967 8.70415 6.0129 6.61111 10.2427 5.65185 8.7497 11.2452 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 4.47349 7.54889 3.92737 10.0962 6.0129 4.44979 13.659 12.5931 9.64383 12.0058 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 4.47349 7.54889 3.92737 10.0962 6.0129 4.44979 5.02887 5.65185 7.78931 11.2452 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 4.47349 5.2571 3.94967 10.0962 6.0129 6.61111 8.40073 6.7117 5.10496 8.70415 numMergedOcc 0
10 mol 98 unq 6 iso 0 dist 4.47349 5.2571 3.94967 10.0962 6.0129 6.61111 9.42358 9.42961 5.92242 9.74284 numMergedOcc 0
11 mol 98 unq 7 iso 0 dist 4.47349 5.2571 3.94967 10.0962 6.0129 6.61111 5.02887 5.65185 8.7497 11.2452 numMergedOcc 0
12 mol 98 unq 8 iso 0 dist 5.65185 7.78931 3.92737 11.2452 6.0129 4.44979 14.591 12.5931 9.64383 12.0058 numMergedOcc 0
13 mol 98 unq 9 iso 0 dist 5.65185 7.78931 3.92737 11.2452 6.0129 4.44979 5.02887 4.47349 7.54889 10.0962 numMergedOcc 0
14 mol 98 unq 10 iso 0 dist 5.65185 8.7497 3.94967 11.2452 6.0129 6.61111 10.2427 6.7117 5.10496 8.70415 numMergedOcc 0
15 mol 98 unq 11 iso 0 dist 5.65185 8.7497 3.94967 11.2452 6.0129 6.61111 13.9786 9.42961 5.92242 9.74284 numMergedOcc 0
16 mol 98 unq 12 iso 0 dist 5.65185 8.7497 3.94967 11.2452 6.0129 6.61111 5.02887 4.47349 5.2571 10.0962 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 5.3585 8.55616 7.43401 6.81259 9.94764 8.69531 6.74887 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 6.23142 9.33094 6.93712 5.41704 8.73604 11.7151 6.81259 9.94764 8.69531 6.17103 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 9.94764 9.1998 11.5269 6.74887 8.55616 6.44575 11.6064 12.1214 6.42772 5.31077 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 9.94764 9.1998 11.5269 6.74887 8.55616 6.44575 7.09823 15.049 8.70621 10.9715 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 9.94764 9.1998 11.5269 6.17103 8.73604 14.0978 11.6064 12.1214 6.42772 14.8449 numMergedOcc 0
22 mol 134 unq 5 iso 0 dist 9.94764 9.1998 11.5269 6.17103 8.73604 14.0978 7.09823 15.049 8.70621 13.0122 numMergedOcc 0
23 mol 134 unq 6 iso 0 dist 9.94764 8.69531 6.93712 6.74887 8.55616 7.43401 6.81259 6.23142 9.33094 5.3585 numMergedOcc 0
24 mol 134 unq 7 iso 0 dist 9.94764 8.69531 6.93712 6.17103 8.73604 11.7151 6.81259 6.23142 9.33094 5.41704 numMergedOcc 0
25 mol 167 unq 0 iso 0 dist 9.67741 9.2289 8.91275 6.36909 7.80054 10.5288 4.70068 11.6896 7.68266 7.69326 numMergedOcc 0
26 mol 167 unq 1 iso 0 dist 9.67741 9.2289 8.91275 6.36909 7.80054 10.5288 10.3445 12.8466 7.6616 9.46955 numMergedOcc 0
27 mol 167 unq 2 iso 0 dist 9.67741 7.02548 5.95858 6.36909 7.80054 7.30954 4.70068 11.6896 6.84752 7.69326 numMergedOcc 0
28 mol 167 unq 3 iso 0 dist 9.67741 7.02548 5.95858 6.36909 7.80054 7.30954 10.3445 12.8466 7.86563 9.46955 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 6.2479 9.76212 6.39406 6.25083 9.06217 14.5897 6.01247 6.22122 8.59874 10.5753 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 6.2479 9.76212 6.39406 4.77278 7.13252 12.3788 6.01247 6.22122 8.59874 5.88819 numMergedOcc 0
31 mol 181 unq 2 iso 0 dist 6.22122 8.59874 6.39406 10.5753 9.06217 14.5897 6.01247 6.2479 9.76212 6.25083 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 6.22122 8.59874 6.39406 5.88819 7.13252 12.3788 6.01247 6.2479 9.76212 4.77278 numMergedOcc 0
33 mol 181 unq 4 iso 0 dist 5.94469 9.01624 11.9796 6.7991 7.05653 6.76746 11.5866 14.8638 5.05973 8.35755 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 7.76163 7.05695 3.78314 10.5203 9.84492 12.8056 6.83796 10.5615 9.3498 12.7721 numMergedOcc 0
35 mol 186 unq 1 iso 0 dist 8.73217 6.61112 4.03697 11.7299 9.84492 10.5584 7.09479 10.6519 8.90571 6.97485 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.24557 9.72188 17.1065 11.0401 8.90076 17.0286 15.7907 21.6822 9.12776 24.4448 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 9.24557 9.72188 17.1065 8.85181 6.87131 18.3572 15.7907 21.6822 9.12776 22.6271 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 9.24557 9.72188 17.1065 11.9142 8.09718 21.4884 15.7907 21.6822 9.12776 27.0102 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 7.98231 9.46361 4.10176 11.6195 8.71497 9.43105 6.96053 7.08526 6.95511 5.79468 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 7.08526 5.85442 4.47425 5.79468 8.71497 6.23661 9.98105 10.4552 6.9899 5.31048 numMergedOcc 0
41 mol 259 unq 2 iso 0 dist 7.08526 6.95511 4.10176 5.79468 8.71497 9.43105 6.96053 7.98231 9.46361 11.6195 numMergedOcc 0
