0 mol 8 unq 0 iso 0 dist 4.92734 7.35767 8.96553 7.0822 8.33604 8.27181 9.91124 7.3915 7.43529 11.705 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 7.40735 7.685 8.43188 6.06832 5.81959 7.63409 9.96732 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 6.23095 11.5983 6.03987 7.40735 7.685 10.3635 6.06832 5.81959 8.4666 9.96732 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 7.51406 6.4487 8.34347 9.20028 9.16962 11.887 6.81213 5.69955 10.6756 4.80984 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 5.26018 12.8491 9.80098 9.26324 7.18176 5.93337 11.8848 9.66501 4.88603 8.75928 numMergedOcc 0
5 mol 52 unq 1 iso 0 dist 5.26018 10.3287 7.34143 9.26324 7.18176 4.5482 11.8848 9.66501 12.277 8.75928 numMergedOcc 0
6 mol 52 unq 2 iso 0 dist 7.1203 5.92851 9.80098 6.22409 7.18176 5.93337 8.65709 9.66501 4.88603 8.75928 numMergedOcc 0
7 mol 52 unq 3 iso 0 dist 7.1203 6.03647 7.34143 6.22409 7.18176 4.5482 8.65709 9.66501 12.277 8.75928 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 7.63663 14.2824 9.65964 14.4842 7.92394 6.65811 6.69775 6.54023 9.03317 11.6542 numMergedOcc 0
9 mol 70 unq 1 iso 0 dist 7.63663 14.2824 9.65964 14.7467 9.93423 5.47516 6.69775 6.54023 9.03317 11.7156 numMergedOcc 0
10 mol 70 unq 2 iso 0 dist 7.63663 14.2824 9.65964 5.93792 9.34122 11.0952 6.69775 6.54023 9.03317 4.95817 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 10.0721 4.65521 7.41074 16.0036 8.73253 8.26458 11.2505 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.92577 6.89293 6.45675 7.38658 8.72704 7.2495 9.57933 9.00544 11.8512 14.6145 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 8.92577 6.89293 6.45675 7.38658 8.72704 7.2495 7.04774 7.12017 9.52882 6.00843 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 9.57933 9.00544 14.9392 14.6145 numMergedOcc 0
15 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 7.04774 7.12017 12.6602 6.00843 numMergedOcc 0
16 mol 100 unq 4 iso 0 dist 8.92577 12.7188 8.86688 7.38658 8.72704 15.9331 9.57933 9.00544 9.01214 14.6145 numMergedOcc 0
17 mol 100 unq 5 iso 0 dist 8.92577 12.7188 8.86688 7.38658 8.72704 15.9331 7.04774 7.12017 14.8674 6.00843 numMergedOcc 0
18 mol 100 unq 6 iso 0 dist 9.56324 15.1093 6.45675 15.7025 8.72704 7.2495 6.95888 9.00544 11.8512 14.6145 numMergedOcc 0
19 mol 100 unq 7 iso 0 dist 9.56324 15.1093 6.45675 15.7025 8.72704 7.2495 10.3606 7.12017 9.52882 6.00843 numMergedOcc 0
20 mol 100 unq 8 iso 0 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 6.95888 9.00544 14.9392 14.6145 numMergedOcc 0
21 mol 100 unq 9 iso 0 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 10.3606 7.12017 12.6602 6.00843 numMergedOcc 0
22 mol 100 unq 10 iso 0 dist 9.56324 13.0353 8.86688 15.7025 8.72704 15.9331 6.95888 9.00544 9.01214 14.6145 numMergedOcc 0
23 mol 100 unq 11 iso 0 dist 9.56324 13.0353 8.86688 15.7025 8.72704 15.9331 10.3606 7.12017 14.8674 6.00843 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 5.38332 5.87358 9.46098 9.01694 5.34214 9.14441 5.94311 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 10.06 9.63176 10.6679 6.89245 7.77116 3.78311 8.96522 numMergedOcc 0
26 mol 131 unq 0 iso 0 dist 8.99949 11.3502 6.85062 9.45501 6.91348 6.19596 14.8405 9.29384 9.32969 6.01893 numMergedOcc 0
27 mol 131 unq 1 iso 0 dist 8.99949 11.3502 6.85062 9.03202 9.51418 6.6499 14.8405 9.29384 9.32969 15.1974 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 5.57904 7.41837 6.54501 7.26771 8.6355 10.1448 5.98568 5.53031 5.35679 11.9544 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 5.57904 6.50005 6.49416 7.26771 8.6355 5.41704 5.98568 5.53031 8.46636 11.9544 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 6.21273 5.1021 9.23153 5.33649 6.84247 6.7067 6.71715 5.45036 6.17628 5.49803 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 6.21273 5.1021 9.23153 5.33649 6.84247 6.7067 10.938 9.97586 14.0253 7.44322 numMergedOcc 0
32 mol 220 unq 2 iso 0 dist 6.21273 5.1021 9.23153 12.5011 6.99002 15.9568 6.71715 5.45036 6.17628 11.2241 numMergedOcc 0
33 mol 220 unq 3 iso 0 dist 6.21273 5.1021 9.23153 12.5011 6.99002 15.9568 10.938 9.97586 14.0253 9.68359 numMergedOcc 0
34 mol 220 unq 4 iso 0 dist 6.21273 6.29601 8.24498 5.33649 6.84247 6.05129 6.71715 5.45036 10.4136 5.49803 numMergedOcc 0
35 mol 220 unq 5 iso 0 dist 6.21273 6.29601 8.24498 5.33649 6.84247 6.05129 10.938 9.97586 6.20511 7.44322 numMergedOcc 0
36 mol 220 unq 6 iso 0 dist 6.21273 6.29601 8.24498 12.5011 6.99002 11.1321 6.71715 5.45036 10.4136 11.2241 numMergedOcc 0
37 mol 220 unq 7 iso 0 dist 6.21273 6.29601 8.24498 12.5011 6.99002 11.1321 10.938 9.97586 6.20511 9.68359 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 11.2986 8.38865 11.0628 5.92529 numMergedOcc 0
39 mol 227 unq 1 iso 0 dist 9.60159 6.38287 7.09863 7.35206 8.17891 9.13836 11.2986 8.38865 12.9587 5.92529 numMergedOcc 0
40 mol 227 unq 2 iso 0 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 8.14937 5.87815 10.6244 4.3387 numMergedOcc 0
41 mol 272 unq 0 iso 0 dist 7.31993 7.33684 9.97651 13.7563 9.09992 10.841 11.4436 9.19033 10.26 11.8912 numMergedOcc 0
42 mol 272 unq 1 iso 0 dist 7.31993 7.33684 9.97651 5.91451 6.16449 4.72202 11.4436 9.19033 10.26 6.56154 numMergedOcc 0
43 mol 272 unq 2 iso 0 dist 7.31993 10.4451 8.46116 13.7563 9.09992 5.63139 11.4436 9.19033 13.5034 11.8912 numMergedOcc 0
44 mol 272 unq 3 iso 0 dist 7.31993 10.4451 8.46116 5.91451 6.16449 8.52877 11.4436 9.19033 13.5034 6.56154 numMergedOcc 0
