0 mol 7 unq 0 iso 0 dist 6.0323 8.05125 5.96526 7.15434 5.70161 9.17482 9.89662 5.27578 8.50044 10.6926 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.10175 6.29755 12.1689 6.54183 10.1356 5.58127 5.01159 5.7405 10.1502 10.4158 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 6.10175 7.4038 11.8364 6.54183 10.1356 5.54544 5.01159 5.7405 12.3954 10.4158 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 9.49909 8.0757 4.98324 8.40931 7.40093 3.73188 6.93938 8.81003 10.4259 12.6304 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.87856 7.88143 6.62867 5.85841 6.83826 4.04716 4.81103 4.94406 7.67564 5.78706 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 8.87856 7.88143 6.62867 7.00285 9.94628 13.0429 4.81103 4.94406 7.67564 5.59328 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 8.87856 6.62952 11.2334 5.85841 6.83826 4.75433 4.81103 4.94406 8.60103 5.78706 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 8.87856 6.62952 11.2334 7.00285 9.94628 11.5098 4.81103 4.94406 8.60103 5.59328 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 6.2491 7.88143 12.7928 5.85841 9.30656 4.04716 4.81103 7.2337 7.67564 5.78706 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 6.2491 7.88143 12.7928 7.00285 5.39087 13.0429 4.81103 7.2337 7.67564 5.59328 numMergedOcc 0
10 mol 98 unq 6 iso 0 dist 6.2491 6.62952 7.89992 5.85841 9.30656 4.75433 4.81103 7.2337 8.60103 5.78706 numMergedOcc 0
11 mol 98 unq 7 iso 0 dist 6.2491 6.62952 7.89992 7.00285 5.39087 11.5098 4.81103 7.2337 8.60103 5.59328 numMergedOcc 0
12 mol 98 unq 8 iso 0 dist 3.59451 4.3521 7.89992 6.78839 9.30656 4.75433 7.22196 7.2337 8.60103 5.78706 numMergedOcc 0
13 mol 98 unq 9 iso 0 dist 3.59451 4.3521 7.89992 8.02354 5.39087 11.5098 7.22196 7.2337 8.60103 5.59328 numMergedOcc 0
14 mol 124 unq 0 iso 0 dist 5.61764 8.03603 5.26643 6.35314 5.31501 5.1738 4.26006 8.18186 9.5436 9.79969 numMergedOcc 0
15 mol 125 unq 0 iso 0 dist 6.6081 8.75402 4.77979 7.76202 6.92879 5.87414 7.74181 9.2657 6.75122 7.47069 numMergedOcc 0
16 mol 125 unq 1 iso 0 dist 9.64304 8.48363 4.77979 6.03557 9.19339 6.10523 8.27647 9.2657 6.75122 9.3778 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 7.8034 9.14809 9.45822 9.33945 8.25445 14.651 11.5898 9.39811 17.3821 11.832 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 7.8034 6.45169 10.1774 9.33945 8.25445 7.47571 11.5898 9.39811 15.8766 11.832 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 8.68767 8.18749 4.42976 9.73411 14.3302 11.2298 5.77278 9.42667 11.4169 14.5387 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 8.68767 8.18749 4.42976 7.75485 9.74911 5.95421 5.77278 9.42667 11.4169 12.8311 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 8.11884 9.92947 10.2154 5.98967 9.07441 4.85574 12.3321 7.40057 15.1085 13.0251 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 9.42812 6.40125 10.3278 7.07459 13.8339 12.8864 13.008 5.92532 14.3257 17.3351 numMergedOcc 0
