0 mol 10 unq 0 iso 0 dist 6.05338 8.16906 4.27432 4.87654 6.02154 9.89713 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.33936 8.70331 4.84198 4.87576 7.11053 8.78511 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 6.59367 7.7727 7.42205 13.7087 7.29079 11.1115 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 5.53875 7.21223 6.80028 5.29182 5.64432 10.836 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.10708 8.185 7.57153 5.39975 8.67634 10.1579 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 9.20253 6.68153 7.57153 5.46757 8.67634 10.1579 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 7.82011 9.57243 10.3318 4.62155 4.26972 10.3229 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 7.82011 8.12558 4.48264 4.62155 4.26972 5.95801 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 8.22353 9.99012 4.19541 11.3315 8.18023 11.7801 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 8.22353 9.99012 4.19541 12.1494 7.46803 6.60366 numMergedOcc 0
10 mol 143 unq 2 iso 0 dist 8.57285 5.33772 4.19541 14.6282 8.18023 11.7801 numMergedOcc 0
11 mol 143 unq 3 iso 0 dist 8.57285 5.33772 4.19541 7.11802 7.46803 6.60366 numMergedOcc 0
12 mol 157 unq 0 iso 0 dist 5.87379 9.48169 6.02931 7.50283 6.4431 10.7174 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 9.72291 8.43955 5.3461 8.23378 9.1326 9.18474 numMergedOcc 0
14 mol 167 unq 1 iso 0 dist 9.72291 8.43955 5.3461 12.2546 7.30954 10.8459 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 6.96139 9.53899 4.00138 10.0389 9.58372 7.66702 numMergedOcc 0
16 mol 219 unq 0 iso 0 dist 9.38761 8.58891 9.62023 4.74338 7.30481 10.4363 numMergedOcc 0
17 mol 228 unq 0 iso 0 dist 4.55699 6.9196 5.63283 6.49057 8.6457 13.0996 numMergedOcc 0
18 mol 228 unq 1 iso 0 dist 4.55699 6.9196 5.63283 5.33324 8.8055 11.3148 numMergedOcc 0
19 mol 228 unq 2 iso 0 dist 8.10816 6.9196 3.65229 11.5135 7.84881 8.92379 numMergedOcc 0
20 mol 228 unq 3 iso 0 dist 7.95486 6.72203 3.62742 11.5792 7.86746 9.06403 numMergedOcc 0
21 mol 228 unq 4 iso 0 dist 4.42593 6.72203 5.34726 6.25439 8.66946 12.7378 numMergedOcc 0
22 mol 228 unq 5 iso 0 dist 4.42593 6.72203 5.34726 5.17467 8.55761 11.0131 numMergedOcc 0
23 mol 254 unq 0 iso 0 dist 8.5372 9.84028 6.19835 8.2786 9.66641 5.6417 numMergedOcc 0
24 mol 254 unq 1 iso 0 dist 8.5372 9.84028 6.19835 5.20737 9.26575 7.42831 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 7.58405 6.90472 6.03233 4.35925 8.5613 9.73217 numMergedOcc 0
26 mol 260 unq 1 iso 0 dist 7.26115 6.90472 7.66564 4.35925 5.7791 9.73217 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 7.96519 8.13393 9.36978 9.73521 9.35749 14.1056 numMergedOcc 0
