0 mol 27 unq 0 iso 0 dist 6.56549 6.72058 6.78936 14.1556 13.4461 7.60283 10.4607 10.757 7.50515 9.52474 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 8.0072 5.14132 7.29079 9.57818 11.5146 6.42834 9.08934 11.3157 5.0364 8.51663 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.69574 6.13812 5.81001 10.7145 4.06745 5.55096 9.36537 10.7109 5.54436 9.53378 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.33961 4.45424 4.44979 8.55509 3.92737 6.0129 12.3919 9.81956 8.70415 6.7117 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.33961 4.45424 4.44979 8.55509 3.92737 6.0129 12.7318 7.54889 10.0962 4.47349 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 5.33961 4.45424 4.44979 8.55509 3.92737 6.0129 12.3835 7.78931 11.2452 5.65185 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 8.3505 12.8333 6.61111 10.9995 3.94967 6.0129 4.75138 5.10496 8.70415 6.7117 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 8.3505 12.8333 6.61111 10.9995 3.94967 6.0129 11.3628 5.2571 10.0962 4.47349 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 8.3505 12.8333 6.61111 10.9995 3.94967 6.0129 13.9599 8.7497 11.2452 5.65185 numMergedOcc 0
9 mol 98 unq 6 iso 0 dist 9.29816 9.31771 4.44979 12.4401 3.92737 6.0129 17.0916 9.81956 8.70415 6.7117 numMergedOcc 0
10 mol 98 unq 7 iso 0 dist 9.29816 9.31771 4.44979 12.4401 3.92737 6.0129 14.676 7.54889 10.0962 4.47349 numMergedOcc 0
11 mol 98 unq 8 iso 0 dist 9.29816 9.31771 4.44979 12.4401 3.92737 6.0129 16.3389 7.78931 11.2452 5.65185 numMergedOcc 0
12 mol 98 unq 9 iso 0 dist 5.08983 9.47873 4.44979 5.94696 3.92737 6.0129 12.4265 9.81956 8.70415 6.7117 numMergedOcc 0
13 mol 98 unq 10 iso 0 dist 5.08983 9.47873 4.44979 5.94696 3.92737 6.0129 7.1452 7.54889 10.0962 4.47349 numMergedOcc 0
14 mol 98 unq 11 iso 0 dist 5.08983 9.47873 4.44979 5.94696 3.92737 6.0129 4.96747 7.78931 11.2452 5.65185 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.78303 11.5532 7.43401 11.9876 6.93712 8.55616 16.3074 11.2896 6.69989 7.69991 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.78303 11.5532 7.43401 11.9876 6.93712 8.55616 11.9294 9.33094 5.3585 6.23142 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 8.78303 11.5532 7.43401 11.9876 6.93712 8.55616 6.36794 8.69531 6.74887 9.94764 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 6.48993 4.0737 7.30954 9.14629 5.95858 7.80054 7.91498 7.02548 6.36909 9.67741 numMergedOcc 0
19 mol 168 unq 0 iso 0 dist 7.30338 6.39941 7.06851 8.90876 4.02702 7.60254 12.1014 6.02086 8.67522 7.44629 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 8.79884 4.18393 7.79951 11.2718 12.8337 7.57454 9.04956 9.91384 6.43754 5.41321 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.99194 4.81145 8.69525 11.9862 15.3328 8.09718 17.7142 18.042 13.171 7.57812 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 9.99194 4.81145 8.69525 11.9862 15.3328 8.09718 14.3956 19.192 11.9142 9.24557 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 9.99194 4.81145 8.69525 11.4318 10.3346 6.73446 17.7142 18.042 13.171 8.69104 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 4.95855 4.09442 6.23661 8.90398 4.47425 8.71497 12.1767 10.3406 11.6195 7.98231 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 4.95855 4.09442 6.23661 8.90398 4.47425 8.71497 5.41945 5.85442 5.79468 7.08526 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.59142 6.7711 6.0283 13.1175 9.85432 9.24367 10.5081 10.2562 5.34838 7.23721 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 7.78796 7.69175 6.1905 6.60049 3.92782 5.7131 6.94727 9.74118 5.98906 9.88863 numMergedOcc 0
