0 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 12.1567 6.72502 6.58998 20.0654 14.012 9.41441 11.5841 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.23095 11.5983 6.03987 6.06832 5.81959 8.4666 11.0789 5.68392 6.85556 11.3646 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 8.33667 9.93832 9.06158 11.9521 6.18002 8.95682 14.2655 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 7.70026 13.9113 7.34143 11.1113 9.9052 8.9759 11.7865 6.66056 6.31696 11.1601 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 16.0036 8.73253 8.26458 13.2119 6.56633 9.24757 6.48232 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.16299 10.3774 8.70481 11.9686 8.85586 14.8866 14.1293 15.3808 9.24757 17.0441 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.16299 10.3774 8.70481 11.4934 7.11 8.05119 14.1293 15.3808 9.24757 10.8937 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.27015 12.6626 8.70481 16.4476 8.85586 14.8866 21.4221 15.3808 9.24757 17.0441 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 8.27015 12.6626 8.70481 14.727 7.11 8.05119 21.4221 15.3808 9.24757 10.8937 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 14.9908 7.26086 7.32662 13.251 7.06961 6.7117 8.43352 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 8.05602 12.0339 6.10456 14.9908 7.26086 6.934 13.251 7.06961 4.47349 8.43352 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 9.57933 9.00544 14.9392 15.5006 12.2861 8.30845 20.8516 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 9.57933 9.00544 14.9392 20.027 15.5385 8.76378 21.7784 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 7.04774 7.12017 12.6602 15.5006 12.2861 8.30845 13.9603 numMergedOcc 0
14 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 7.04774 7.12017 12.6602 20.027 15.5385 8.76378 21.4058 numMergedOcc 0
15 mol 100 unq 4 iso 0 dist 9.56324 16.8752 7.47343 6.95888 9.00544 14.9392 21.1917 12.2861 8.30845 20.8516 numMergedOcc 0
16 mol 100 unq 5 iso 0 dist 9.56324 16.8752 7.47343 6.95888 9.00544 14.9392 24.0706 15.5385 8.76378 21.7784 numMergedOcc 0
17 mol 100 unq 6 iso 0 dist 9.56324 16.8752 7.47343 10.3606 7.12017 12.6602 21.1917 12.2861 8.30845 13.9603 numMergedOcc 0
18 mol 100 unq 7 iso 0 dist 9.56324 16.8752 7.47343 10.3606 7.12017 12.6602 24.0706 15.5385 8.76378 21.4058 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 6.89245 7.77116 3.78311 14.0057 7.20179 6.52773 8.8562 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 8.88255 10.5726 8.73993 6.89245 7.77116 3.78311 8.61574 9.89358 9.23858 7.91683 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 9.33945 12.3624 8.40312 11.8905 8.86329 5.89022 12.7271 7.7567 9.90168 5.56627 numMergedOcc 0
22 mol 131 unq 1 iso 0 dist 8.99949 11.3502 6.85062 14.8405 9.29384 9.32969 20.1653 13.7237 9.90168 8.50562 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 5.57904 7.41837 6.54501 5.98568 5.53031 5.35679 9.95528 5.71679 7.69991 10.0154 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 5.57904 6.50005 6.49416 5.98568 5.53031 8.46636 9.95528 5.71679 6.23142 10.0154 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 6.37333 5.60393 5.28092 16.5371 12.4957 6.03688 11.2584 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 6.21273 5.1021 9.23153 6.71715 5.45036 6.17628 7.58118 7.11498 6.59716 5.37796 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 6.21273 5.1021 9.23153 10.938 9.97586 14.0253 7.58118 7.11498 6.59716 15.9038 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 8.7419 5.01062 6.00706 7.26742 7.862 6.42798 13.4892 7.75466 9.07471 9.08955 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 11.2986 8.38865 11.0628 11.9075 6.35849 7.43071 14.3567 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 11.2986 8.38865 11.0628 11.7218 10.9607 5.41321 12.135 numMergedOcc 0
31 mol 227 unq 2 iso 0 dist 9.60159 6.38287 7.09863 11.2986 8.38865 12.9587 11.9075 6.35849 6.02296 14.3567 numMergedOcc 0
32 mol 227 unq 3 iso 0 dist 7.71761 5.841 7.55216 8.14937 5.87815 10.6244 11.6367 9.32448 7.43071 11.5062 numMergedOcc 0
33 mol 227 unq 4 iso 0 dist 7.71761 5.841 7.55216 8.14937 5.87815 10.6244 6.65275 6.48027 5.41321 11.0303 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 16.7146 7.83711 8.25884 11.8822 4.9377 9.40808 6.57921 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 8.9706 5.70285 6.60405 7.43645 9.53063 6.6525 11.8123 5.63675 7.21311 12.3072 numMergedOcc 0
