0 mol 7 unq 0 iso 0 dist 7.32262 9.34656 4.95992 15.0884 11.0133 6.36911 16.3136 13.2517 8.81608 6.88805 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.32262 9.34656 4.95992 6.3236 10.6003 9.36807 16.3136 13.2517 8.81608 13.156 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.25342 8.71628 5.48326 6.98731 10.8304 6.4934 5.06894 7.61139 5.9809 5.48225 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 9.25342 8.71628 5.48326 6.98731 10.8304 6.4934 9.95303 6.54552 5.83917 9.03258 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 9.25342 8.71628 5.48326 12.0498 9.70606 6.93199 5.06894 7.61139 5.9809 7.06175 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 9.25342 8.71628 5.48326 12.0498 9.70606 6.93199 9.95303 6.54552 5.83917 3.79581 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 9.96575 6.47401 10.8572 7.94986 17.3388 8.67367 13.573 19.6662 9.51318 10.2625 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 9.96575 6.47401 10.8572 7.94986 17.3388 8.67367 14.6933 20.5931 9.84457 10.2496 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 8.59592 6.47401 4.46367 7.94986 13.0129 8.67367 13.573 12.5123 9.51318 10.2625 numMergedOcc 0
9 mol 95 unq 3 iso 0 dist 8.59592 6.47401 4.46367 7.94986 13.0129 8.67367 14.6933 13.14 9.84457 10.2496 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.07957 9.59094 9.65497 11.0811 13.0521 7.92688 13.2035 16.1732 9.10003 14.8533 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 8.32453 7.13287 6.50232 5.01665 9.61081 7.31468 9.1255 13.1485 7.05845 7.63293 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 8.32453 7.13287 6.50232 4.9475 5.46922 7.7056 9.1255 13.1485 7.05845 11.903 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.71376 7.83547 5.34316 5.63642 11.1838 7.82944 6.70989 9.21416 8.98681 10.9161 numMergedOcc 0
14 mol 228 unq 0 iso 0 dist 9.74392 9.79291 13.9262 11.2222 17.8697 9.06121 14.2513 21.5984 8.66946 9.80263 numMergedOcc 0
15 mol 228 unq 1 iso 0 dist 9.74392 9.79291 13.9262 11.2222 17.8697 9.06121 11.0879 19.1593 8.55761 4.63053 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 6.35728 7.54327 9.90298 5.28657 5.00515 6.16063 16.363 17.307 9.11572 13.1872 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.46142 8.91763 9.95362 12.0885 17.137 7.67322 8.28104 14.7043 7.39547 5.71717 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 9.97011 6.27189 9.40847 9.92738 14.5402 7.67853 13.4399 16.2921 8.84523 5.12237 numMergedOcc 0
19 mol 272 unq 1 iso 0 dist 9.97011 6.27189 9.40847 9.92738 14.5402 7.67853 5.87335 13.9409 6.95241 5.41667 numMergedOcc 0
