0 mol 21 unq 0 iso 0 dist 9.76497 8.7443 3.36756 5.38502 8.6232 5.92388 7.31253 5.10048 4.71732 6.72231 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 9.76497 8.7443 3.36756 5.38502 8.6232 5.92388 13.1141 5.89271 4.56848 9.50179 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.7516 9.48328 13.4515 4.99432 9.53081 5.43913 10.7326 13.2937 5.44336 8.36915 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.7516 9.48328 13.4515 4.99432 9.53081 5.43913 6.46118 5.41488 9.12054 6.01454 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 5.99879 8.6777 11.5541 6.29913 11.8033 7.21223 10.9061 16.1155 7.71448 6.79881 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.93939 6.16745 4.40015 7.90858 8.44279 7.02693 11.3999 10.8619 8.69689 5.39171 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.93939 6.16745 4.40015 7.90858 8.44279 7.02693 12.0249 10.996 8.0072 9.27355 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.93939 6.16745 4.40015 7.90858 8.44279 7.02693 11.2944 13.2175 9.61302 8.60363 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.69413 6.77993 6.65219 7.89197 9.06641 8.63446 8.48921 5.12529 3.78122 6.6146 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.61918 6.01995 4.63862 13.2228 5.79195 9.35049 9.71281 5.35551 3.75786 9.07294 numMergedOcc 0
10 mol 157 unq 0 iso 0 dist 6.97303 8.97914 5.07066 6.72897 6.8976 8.36016 13.9313 11.1313 7.72329 9.668 numMergedOcc 0
11 mol 157 unq 1 iso 0 dist 9.46764 8.97914 7.444 6.72897 10.6584 8.36016 13.9313 9.8171 7.72329 9.668 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 5.89811 8.20259 5.81094 9.89233 10.3236 7.95917 8.14413 5.02037 5.30972 6.41444 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 9.46821 6.45095 12.8448 5.20211 13.3855 6.33954 9.52129 14.6754 5.41858 6.72499 numMergedOcc 0
14 mol 233 unq 1 iso 0 dist 9.46821 6.45095 12.8448 5.20211 13.3855 6.33954 10.2561 13.8253 9.32494 7.21238 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 9.19442 5.79883 10.1445 5.28237 12.9581 5.19729 7.90449 11.8831 7.07666 5.38325 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 6.77021 4.98907 5.05766 5.83092 8.58092 5.94328 7.42888 13.2474 8.9947 8.97411 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 8.65743 5.28746 4.39553 5.36882 9.62494 6.48382 14.0145 18.9489 16.2409 9.77392 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 8.02607 5.28746 3.94797 5.36882 10.0796 6.48382 14.0145 19.729 16.2409 9.77392 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.02002 9.89615 3.80043 18.0386 11.6557 8.67957 22.0305 14.5647 12.2201 6.12202 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 8.08235 9.89615 4.0143 18.0386 12.0112 8.67957 22.0305 14.6542 12.2201 6.12202 numMergedOcc 0
21 mol 274 unq 2 iso 0 dist 8.95153 5.77565 4.66969 7.77559 9.34051 8.67957 11.9894 10.3702 12.2201 6.12202 numMergedOcc 0
22 mol 274 unq 3 iso 0 dist 7.1255 5.77565 4.0143 7.77559 12.0112 8.67957 11.9894 14.6542 12.2201 6.12202 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 7.03817 8.6212 6.10543 8.24036 10.6331 7.00616 8.51073 5.40352 3.76721 7.02503 numMergedOcc 0
24 mol 280 unq 1 iso 0 dist 7.03817 8.6212 6.10543 14.358 14.3004 9.19653 8.51073 5.40352 3.76721 9.18164 numMergedOcc 0
