0 mol 34 unq 0 iso 0 dist 9.32818 6.20159 12.1733 7.66913 7.02107 11.3492 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 6.43426 7.94809 11.4636 6.27321 6.78661 13.6446 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.54468 6.35752 13.4398 8.64736 16.1593 3.69039 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.54468 8.88238 10.972 8.64736 16.1593 15.0328 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 8.54678 8.58689 10.2348 5.20528 4.32784 6.64001 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 8.54678 7.82214 7.18472 5.20528 4.32784 4.58085 numMergedOcc 0
6 mol 154 unq 0 iso 0 dist 8.36066 5.7306 8.18984 8.85675 6.01213 11.9741 numMergedOcc 0
7 mol 169 unq 0 iso 0 dist 8.51999 6.58855 10.1095 8.59976 6.07908 13.1373 numMergedOcc 0
8 mol 169 unq 1 iso 0 dist 8.51999 6.58855 10.1095 9.71763 5.82243 12.3204 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 7.59599 9.02321 9.54242 6.0685 5.48326 10.9995 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 7.76429 9.02321 15.6512 6.0685 10.094 10.9995 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 7.73733 9.02321 11.4618 6.0685 11.0387 10.9995 numMergedOcc 0
12 mol 217 unq 0 iso 0 dist 8.75987 8.57319 6.33187 5.88992 11.952 9.12199 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 9.33469 6.0626 8.77193 7.32216 12.6634 4.09076 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 9.33469 6.0626 8.77193 9.92206 11.9518 6.69164 numMergedOcc 0
15 mol 240 unq 0 iso 0 dist 5.05078 7.43296 8.18802 4.98994 4.43015 5.85774 numMergedOcc 0
16 mol 240 unq 1 iso 0 dist 7.99097 7.43296 9.62154 4.98994 9.01165 5.85774 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 9.00434 9.85095 7.30824 8.31182 15.611 12.6333 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 9.00434 8.25191 10.4784 8.31182 15.611 15.5391 numMergedOcc 0
19 mol 266 unq 2 iso 0 dist 9.00434 7.35056 12.7057 8.31182 15.611 13.1627 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 6.12683 9.34641 4.33208 9.36748 6.91887 4.90927 numMergedOcc 0
