0 mol 18 unq 0 iso 0 dist 6.39243 15.2831 9.51761 9.30561 7.3094 9.70492 6.43155 7.55766 12.4713 6.48196 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 6.39243 9.30561 7.3094 15.2831 9.51761 9.70492 6.43155 7.55766 6.48196 12.4713 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 9.1715 17.8306 9.51761 14.3582 7.3094 9.70492 10.2305 7.55766 12.4713 6.48196 numMergedOcc 0
3 mol 18 unq 1 iso 1 dist 9.1715 14.3582 7.3094 17.8306 9.51761 9.70492 10.2305 7.55766 6.48196 12.4713 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 14.9411 8.38394 6.44287 12.1567 6.72502 6.58998 6.59374 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 8.20058 14.9411 8.38394 16.6906 8.86116 6.44287 12.1567 6.72502 6.59374 6.58998 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 11.5983 6.03987 4.51512 6.06832 5.81959 7.63409 8.4666 numMergedOcc 0
7 mol 25 unq 0 iso 1 dist 6.23095 11.5983 6.03987 10.747 7.31767 4.51512 6.06832 5.81959 8.4666 7.63409 numMergedOcc 0
8 mol 52 unq 0 iso 0 dist 5.26018 12.8491 9.80098 10.3287 7.34143 9.162 11.8848 9.66501 4.88603 12.277 numMergedOcc 0
9 mol 52 unq 0 iso 1 dist 5.26018 10.3287 7.34143 12.8491 9.80098 9.162 11.8848 9.66501 12.277 4.88603 numMergedOcc 0
10 mol 52 unq 1 iso 0 dist 7.1203 5.92851 9.80098 6.03647 7.34143 9.162 8.65709 9.66501 4.88603 12.277 numMergedOcc 0
11 mol 52 unq 1 iso 1 dist 7.1203 6.03647 7.34143 5.92851 9.80098 9.162 8.65709 9.66501 12.277 4.88603 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 4.72129 6.48948 9.51923 14.9908 7.26086 7.32662 13.4985 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 8.05602 4.72129 6.48948 12.0507 5.08437 9.51923 14.9908 7.26086 13.4985 7.32662 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 8.05602 12.0507 5.08437 12.0339 6.10456 8.40073 14.9908 7.26086 7.32662 6.934 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 8.05602 12.0339 6.10456 12.0507 5.08437 8.40073 14.9908 7.26086 6.934 7.32662 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 8.05602 4.72129 6.48948 12.0339 6.10456 9.42358 14.9908 7.26086 13.4985 6.934 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 8.05602 12.0339 6.10456 4.72129 6.48948 9.42358 14.9908 7.26086 6.934 13.4985 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 8.92577 6.89293 6.45675 12.0555 7.47343 5.33144 9.57933 9.00544 11.8512 14.9392 numMergedOcc 0
19 mol 100 unq 0 iso 1 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 9.57933 9.00544 14.9392 11.8512 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 8.92577 6.89293 6.45675 12.0555 7.47343 5.33144 7.04774 7.12017 9.52882 12.6602 numMergedOcc 0
21 mol 100 unq 1 iso 1 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 7.04774 7.12017 12.6602 9.52882 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 8.92577 6.89293 6.45675 12.7188 8.86688 9.71151 9.57933 9.00544 11.8512 9.01214 numMergedOcc 0
23 mol 100 unq 2 iso 1 dist 8.92577 12.7188 8.86688 6.89293 6.45675 9.71151 9.57933 9.00544 9.01214 11.8512 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 8.92577 6.89293 6.45675 12.7188 8.86688 9.71151 7.04774 7.12017 9.52882 14.8674 numMergedOcc 0
25 mol 100 unq 3 iso 1 dist 8.92577 12.7188 8.86688 6.89293 6.45675 9.71151 7.04774 7.12017 14.8674 9.52882 numMergedOcc 0
26 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 9.57933 9.00544 14.9392 9.01214 numMergedOcc 0
27 mol 100 unq 2 iso 1 dist 8.92577 12.7188 8.86688 12.0555 7.47343 10.1407 9.57933 9.00544 9.01214 14.9392 numMergedOcc 0
28 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 7.04774 7.12017 12.6602 14.8674 numMergedOcc 0
29 mol 100 unq 3 iso 1 dist 8.92577 12.7188 8.86688 12.0555 7.47343 10.1407 7.04774 7.12017 14.8674 12.6602 numMergedOcc 0
30 mol 100 unq 4 iso 0 dist 9.56324 15.1093 6.45675 16.8752 7.47343 5.33144 6.95888 9.00544 11.8512 14.9392 numMergedOcc 0
31 mol 100 unq 4 iso 1 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 6.95888 9.00544 14.9392 11.8512 numMergedOcc 0
32 mol 100 unq 5 iso 0 dist 9.56324 15.1093 6.45675 16.8752 7.47343 5.33144 10.3606 7.12017 9.52882 12.6602 numMergedOcc 0
33 mol 100 unq 5 iso 1 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 10.3606 7.12017 12.6602 9.52882 numMergedOcc 0
34 mol 100 unq 6 iso 0 dist 9.56324 15.1093 6.45675 13.0353 8.86688 9.71151 6.95888 9.00544 11.8512 9.01214 numMergedOcc 0
35 mol 100 unq 6 iso 1 dist 9.56324 13.0353 8.86688 15.1093 6.45675 9.71151 6.95888 9.00544 9.01214 11.8512 numMergedOcc 0
36 mol 100 unq 7 iso 0 dist 9.56324 15.1093 6.45675 13.0353 8.86688 9.71151 10.3606 7.12017 9.52882 14.8674 numMergedOcc 0
37 mol 100 unq 7 iso 1 dist 9.56324 13.0353 8.86688 15.1093 6.45675 9.71151 10.3606 7.12017 14.8674 9.52882 numMergedOcc 0
38 mol 100 unq 6 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 6.95888 9.00544 14.9392 9.01214 numMergedOcc 0
39 mol 100 unq 6 iso 1 dist 9.56324 13.0353 8.86688 16.8752 7.47343 10.1407 6.95888 9.00544 9.01214 14.9392 numMergedOcc 0
40 mol 100 unq 7 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 10.3606 7.12017 12.6602 14.8674 numMergedOcc 0
41 mol 100 unq 7 iso 1 dist 9.56324 13.0353 8.86688 16.8752 7.47343 10.1407 10.3606 7.12017 14.8674 12.6602 numMergedOcc 0
42 mol 134 unq 0 iso 0 dist 5.57904 7.41837 6.54501 6.50005 6.49416 5.00526 5.98568 5.53031 5.35679 8.46636 numMergedOcc 0
43 mol 134 unq 0 iso 1 dist 5.57904 6.50005 6.49416 7.41837 6.54501 5.00526 5.98568 5.53031 8.46636 5.35679 numMergedOcc 0
44 mol 220 unq 0 iso 0 dist 6.21273 5.1021 9.23153 6.29601 8.24498 10.5449 6.71715 5.45036 6.17628 10.4136 numMergedOcc 0
45 mol 220 unq 0 iso 1 dist 6.21273 6.29601 8.24498 5.1021 9.23153 10.5449 6.71715 5.45036 10.4136 6.17628 numMergedOcc 0
46 mol 220 unq 1 iso 0 dist 6.21273 5.1021 9.23153 6.29601 8.24498 10.5449 10.938 9.97586 14.0253 6.20511 numMergedOcc 0
47 mol 220 unq 1 iso 1 dist 6.21273 6.29601 8.24498 5.1021 9.23153 10.5449 10.938 9.97586 6.20511 14.0253 numMergedOcc 0
48 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 11.2986 8.38865 11.0628 12.9587 numMergedOcc 0
49 mol 227 unq 0 iso 1 dist 9.60159 6.38287 7.09863 7.51316 7.22101 4.39704 11.2986 8.38865 12.9587 11.0628 numMergedOcc 0
50 mol 258 unq 0 iso 0 dist 8.9706 5.70285 6.60405 6.50871 6.42289 7.26417 7.43645 9.53063 6.6525 5.27959 numMergedOcc 0
51 mol 258 unq 0 iso 1 dist 8.9706 6.50871 6.42289 5.70285 6.60405 7.26417 7.43645 9.53063 5.27959 6.6525 numMergedOcc 0
52 mol 272 unq 0 iso 0 dist 7.31993 7.33684 9.97651 10.4451 8.46116 8.12676 11.4436 9.19033 10.26 13.5034 numMergedOcc 0
53 mol 272 unq 0 iso 1 dist 7.31993 10.4451 8.46116 7.33684 9.97651 8.12676 11.4436 9.19033 13.5034 10.26 numMergedOcc 0
