0 mol 10 unq 0 iso 0 dist 5.40169 9.61828 5.59965 11.4402 9.43029 4.99208 5.75317 7.8329 9.76721 9.80612 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.90592 10.0715 6.72323 8.10397 6.61696 4.08755 4.21283 7.85986 12.2839 9.24731 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.90592 10.0715 6.72323 8.10397 6.61696 4.08755 4.97191 4.30252 6.22954 3.53396 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 4.90592 10.0715 6.72323 9.57743 5.80953 10.0453 4.21283 7.85986 12.2839 11.1587 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 4.90592 10.0715 6.72323 9.57743 5.80953 10.0453 4.97191 4.30252 6.22954 8.72577 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 9.36461 11.9395 6.72323 13.8334 6.61696 4.08755 15.6099 7.85986 12.2839 9.24731 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 9.36461 11.9395 6.72323 13.8334 6.61696 4.08755 12.5557 4.30252 6.22954 3.53396 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 9.36461 11.9395 6.72323 4.47891 5.80953 10.0453 15.6099 7.85986 12.2839 11.1587 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 9.36461 11.9395 6.72323 4.47891 5.80953 10.0453 12.5557 4.30252 6.22954 8.72577 numMergedOcc 0
9 mol 26 unq 0 iso 0 dist 9.5053 5.66783 6.56527 13.4114 6.7142 10.0347 12.4814 9.11311 12.5394 7.78809 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 8.70863 8.31077 9.66222 12.7386 5.05893 11.0952 14.1233 8.04853 11.3242 3.65186 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 8.70863 8.31077 9.66222 12.7386 5.05893 11.0952 14.3481 6.46549 15.4245 5.41777 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.70863 8.31077 9.66222 14.1999 5.71866 12.5181 14.1233 8.04853 11.3242 7.00044 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 8.70863 8.31077 9.66222 14.1999 5.71866 12.5181 14.3481 6.46549 15.4245 5.85247 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 5.39061 5.67023 5.87084 4.24991 7.75314 6.11089 4.9293 7.84546 4.60864 6.95147 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 9.78667 8.69924 9.83945 12.6553 7.42144 16.2294 11.2139 4.92382 13.8739 5.83839 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 9.78667 8.69924 9.83945 13.5035 6.27658 15.9806 11.2139 4.92382 13.8739 3.7404 numMergedOcc 0
17 mol 141 unq 2 iso 0 dist 8.47026 9.33878 9.83945 10.1588 7.42144 16.2294 10.7006 4.92382 13.8739 5.83839 numMergedOcc 0
18 mol 141 unq 3 iso 0 dist 8.47026 9.33878 9.83945 11.7454 6.27658 15.9806 10.7006 4.92382 13.8739 3.7404 numMergedOcc 0
19 mol 141 unq 4 iso 0 dist 6.73983 8.69924 6.75376 14.228 9.27009 6.93828 13.2445 8.40695 5.59893 3.37046 numMergedOcc 0
20 mol 141 unq 5 iso 0 dist 6.73983 8.69924 6.75376 14.228 9.27009 6.93828 11.2655 9.35867 3.89483 8.30017 numMergedOcc 0
21 mol 141 unq 6 iso 0 dist 8.6387 9.33878 6.75376 14.0232 9.27009 6.93828 14.0635 8.40695 5.59893 3.37046 numMergedOcc 0
22 mol 141 unq 7 iso 0 dist 8.6387 9.33878 6.75376 14.0232 9.27009 6.93828 12.7431 9.35867 3.89483 8.30017 numMergedOcc 0
23 mol 141 unq 8 iso 0 dist 7.64956 8.69924 9.10042 8.48213 6.65731 14.0725 11.2655 9.38036 3.89483 14.5559 numMergedOcc 0
24 mol 141 unq 9 iso 0 dist 7.64956 9.41497 9.75059 8.48213 6.65731 13.1981 11.2655 9.38036 4.1436 14.5559 numMergedOcc 0
25 mol 141 unq 10 iso 0 dist 7.64956 9.53115 6.83404 8.48213 6.65731 3.98068 11.2655 9.38036 12.6017 14.5559 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 6.37788 8.43261 6.1886 5.28603 4.19371 4.002 8.68259 8.43182 13.0087 9.23342 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 6.37788 8.43261 6.1886 10.7058 9.71015 7.09553 8.68259 8.43182 13.0087 11.7699 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 8.7028 13.8424 6.1886 11.0713 4.19371 4.002 9.38176 8.43182 13.0087 9.23342 numMergedOcc 0
29 mol 194 unq 3 iso 0 dist 8.7028 13.8424 6.1886 16.9177 9.71015 7.09553 9.38176 8.43182 13.0087 11.7699 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 6.57921 7.86594 9.78181 8.03712 9.9183 14.876 6.20756 9.78273 12.3206 3.43286 numMergedOcc 0
31 mol 232 unq 1 iso 0 dist 6.57921 13.8622 9.8664 8.03712 9.9183 11.2243 6.20756 9.78273 12.159 3.43286 numMergedOcc 0
32 mol 260 unq 0 iso 0 dist 7.99521 5.52447 9.32954 11.362 6.75725 9.07649 5.42399 6.49413 4.07425 8.04546 numMergedOcc 0
33 mol 260 unq 1 iso 0 dist 7.99521 5.52447 9.32954 11.362 6.75725 9.07649 10.39 6.12343 9.82931 8.22506 numMergedOcc 0
34 mol 260 unq 2 iso 0 dist 7.99521 5.52447 9.32954 11.362 6.75725 9.07649 9.79316 4.52405 9.36278 3.68866 numMergedOcc 0
35 mol 260 unq 3 iso 0 dist 7.99521 5.52447 9.32954 5.38958 9.31888 9.46408 5.42399 6.49413 4.07425 7.35802 numMergedOcc 0
36 mol 260 unq 4 iso 0 dist 7.99521 5.52447 9.32954 5.38958 9.31888 9.46408 10.39 6.12343 9.82931 9.94995 numMergedOcc 0
37 mol 260 unq 5 iso 0 dist 7.99521 5.52447 9.32954 5.38958 9.31888 9.46408 9.79316 4.52405 9.36278 12.8784 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 8.2997 5.36428 6.88827 14.9951 8.60027 13.3632 13.6012 8.09181 8.87313 10.6981 numMergedOcc 0
39 mol 274 unq 1 iso 0 dist 8.2997 14.986 9.16942 14.9951 8.60027 5.39432 13.6012 8.09181 6.97575 10.6981 numMergedOcc 0
