0 mol 7 unq 0 iso 0 dist 6.02702 15.9584 9.97624 6.58469 8.60435 17.4118 10.2465 5.5683 8.81608 10.4105 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.72114 10.515 9.97624 16.4405 8.60435 17.4118 9.67164 5.5683 8.81608 10.4105 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.52474 7.50515 7.60283 13.9181 7.45532 14.2471 10.757 13.4461 6.78936 18.6132 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 9.53378 5.54436 5.55096 5.46116 8.80014 4.52443 10.7109 4.06745 5.81001 7.72462 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.80614 13.9007 7.6481 10.4524 6.62229 5.36808 12.8149 5.45005 8.13051 6.87028 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 6.7117 8.70415 6.0129 7.32662 8.43352 13.6622 9.81956 3.92737 4.44979 12.2279 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.7117 8.70415 6.0129 7.32662 8.43352 13.6622 5.10496 3.94967 6.61111 8.75597 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 4.47349 10.0962 6.0129 6.934 8.43352 13.6622 7.54889 3.92737 4.44979 12.2279 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 4.47349 10.0962 6.0129 6.934 8.43352 13.6622 5.2571 3.94967 6.61111 8.75597 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 5.65185 11.2452 6.0129 7.17433 8.43352 13.6622 7.78931 3.92737 4.44979 12.2279 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 5.65185 11.2452 6.0129 7.17433 8.43352 13.6622 8.7497 3.94967 6.61111 8.75597 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 6.84011 8.88748 5.79343 11.177 9.17466 4.69847 10.2365 4.08391 5.51885 7.59156 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 6.30546 7.01257 7.36017 5.5703 5.94233 5.83002 8.96947 3.9234 8.7789 9.48975 numMergedOcc 0
13 mol 126 unq 1 iso 0 dist 6.30546 7.01257 7.36017 5.5703 5.94233 5.83002 11.4624 5.50104 9.93613 8.66815 numMergedOcc 0
14 mol 126 unq 2 iso 0 dist 6.29233 5.15767 5.14819 9.71711 8.56219 5.83002 12.0971 6.1079 8.7789 9.48975 numMergedOcc 0
15 mol 126 unq 3 iso 0 dist 6.29233 5.15767 5.14819 9.71711 8.56219 5.83002 11.8923 7.02562 9.93613 8.66815 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 7.69991 6.69989 8.55616 13.1292 9.30061 8.05714 12.4385 11.5269 6.44575 6.99345 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 7.69991 6.69989 8.55616 13.1292 9.30061 8.05714 11.2896 6.93712 7.43401 5.11043 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 6.23142 5.3585 8.55616 9.4027 9.30061 8.05714 11.0808 11.5269 6.44575 6.99345 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 6.23142 5.3585 8.55616 9.4027 9.30061 8.05714 9.33094 6.93712 7.43401 5.11043 numMergedOcc 0
20 mol 134 unq 4 iso 0 dist 9.94764 6.74887 8.55616 5.12325 9.30061 8.05714 9.1998 11.5269 6.44575 6.99345 numMergedOcc 0
21 mol 134 unq 5 iso 0 dist 9.94764 6.74887 8.55616 5.12325 9.30061 8.05714 8.69531 6.93712 7.43401 5.11043 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 7.41478 6.56344 5.98039 5.65087 6.07878 9.38038 11.0148 4.08768 7.12731 9.88636 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 7.49645 5.70464 7.12785 11.3773 7.44706 8.16841 12.3379 10.1372 9.33476 13.6245 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 9.9222 10.3961 7.12785 13.3907 7.44706 8.16841 17.256 10.1372 9.33476 13.6245 numMergedOcc 0
