0 mol 51 unq 0 iso 0 dist 7.7625 9.10817 7.12423 10.401 9.06397 10.8401 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.31551 4.41114 8.65898 5.8853 6.99398 7.33586 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 8.31551 4.41114 8.65898 9.66217 8.64208 13.1954 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 7.80757 10.928 9.23023 8.73 9.99029 5.00649 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 9.2835 7.59211 9.23023 11.9616 9.99029 5.00649 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 5.02591 5.13304 9.23023 8.07212 9.99029 5.00649 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 7.28711 12.1555 9.3931 7.54043 8.30169 5.4965 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 7.28711 12.1555 9.3931 8.05785 8.91983 8.87123 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.65229 6.50047 7.15985 11.4776 5.81552 9.87475 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 8.72463 10.0479 8.30654 12.8171 7.5984 11.7934 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 8.14907 4.65448 4.44292 10.7802 8.66709 7.64573 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 4.93984 6.87303 8.14096 4.72853 8.58946 11.1988 numMergedOcc 0
12 mol 167 unq 1 iso 0 dist 4.93984 6.01114 8.43038 4.72853 8.58946 5.44954 numMergedOcc 0
13 mol 167 unq 2 iso 0 dist 4.93984 9.04662 9.87966 4.72853 8.58946 9.15105 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 7.19917 11.8117 8.62103 7.45619 8.07523 14.9127 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 7.19917 11.8117 8.62103 4.70332 7.56882 14.823 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 6.83122 6.06185 9.51764 16.1937 9.40003 18.2005 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 6.83122 6.06185 9.51764 4.16332 8.68385 4.74203 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 6.83122 12.1024 5.36829 16.1937 9.40003 4.87713 numMergedOcc 0
19 mol 214 unq 3 iso 0 dist 6.83122 12.1024 5.36829 4.16332 8.68385 13.4762 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 5.52981 7.26513 8.5119 6.43128 9.88212 5.55907 numMergedOcc 0
21 mol 241 unq 0 iso 0 dist 8.62971 8.34013 8.40773 7.14491 6.40592 4.84498 numMergedOcc 0
22 mol 241 unq 1 iso 0 dist 8.62971 5.69491 9.18476 7.14491 6.40592 6.70277 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 5.76077 5.03278 5.89502 9.07394 8.53729 7.60327 numMergedOcc 0
24 mol 253 unq 1 iso 0 dist 5.76077 5.03278 5.89502 11.6981 8.07341 9.90493 numMergedOcc 0
25 mol 253 unq 2 iso 0 dist 5.76077 4.58695 7.15815 9.07394 8.53729 13.127 numMergedOcc 0
26 mol 253 unq 3 iso 0 dist 5.76077 4.58695 7.15815 11.6981 8.07341 14.7487 numMergedOcc 0
27 mol 253 unq 4 iso 0 dist 7.0247 12.6079 5.89502 14.7046 8.53729 7.60327 numMergedOcc 0
28 mol 253 unq 5 iso 0 dist 7.0247 12.6079 5.89502 12.0836 8.07341 9.90493 numMergedOcc 0
29 mol 253 unq 6 iso 0 dist 7.0247 11.088 7.15815 14.7046 8.53729 13.127 numMergedOcc 0
30 mol 253 unq 7 iso 0 dist 7.0247 11.088 7.15815 12.0836 8.07341 14.7487 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 6.49599 11.5386 8.06771 6.96133 6.96379 5.73217 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 4.96568 9.37522 9.772 11.7587 7.54805 9.91968 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 9.27588 12.8888 8.59986 11.574 7.72749 6.31111 numMergedOcc 0
34 mol 272 unq 0 iso 0 dist 7.22438 7.51377 9.96394 10.4121 4.78812 12.1122 numMergedOcc 0
35 mol 279 unq 0 iso 0 dist 8.27977 4.0145 7.74162 8.89193 5.17586 6.05412 numMergedOcc 0
