0 mol 30 unq 0 iso 0 dist 9.48779 15.6743 8.7817 14.7063 7.55415 5.26258 numMergedOcc 0
1 mol 30 unq 0 iso 1 dist 9.48779 14.7063 7.55415 15.6743 8.7817 5.26258 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 5.82266 8.03687 8.7817 5.00923 7.55415 5.26258 numMergedOcc 0
3 mol 30 unq 1 iso 1 dist 5.82266 5.00923 7.55415 8.03687 8.7817 5.26258 numMergedOcc 0
4 mol 30 unq 2 iso 0 dist 5.26067 7.68563 8.7817 6.96216 7.55415 5.26258 numMergedOcc 0
5 mol 30 unq 2 iso 1 dist 5.26067 6.96216 7.55415 7.68563 8.7817 5.26258 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 5.94235 4.89959 9.31969 5.89083 6.54023 5.22626 numMergedOcc 0
7 mol 70 unq 0 iso 1 dist 5.94235 5.89083 6.54023 4.89959 9.31969 5.22626 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 7.61883 13.4243 8.85586 6.00133 5.16364 8.07446 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 7.61883 6.00133 5.16364 13.4243 8.85586 8.07446 numMergedOcc 0
10 mol 94 unq 0 iso 0 dist 7.04255 7.07376 8.16733 7.1623 9.97569 7.49897 numMergedOcc 0
11 mol 94 unq 0 iso 1 dist 7.04255 7.1623 9.97569 7.07376 8.16733 7.49897 numMergedOcc 0
12 mol 94 unq 1 iso 0 dist 7.46708 4.44456 8.16733 8.92413 9.97569 7.49897 numMergedOcc 0
13 mol 94 unq 1 iso 1 dist 7.46708 8.92413 9.97569 4.44456 8.16733 7.49897 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 9.71246 5.21064 6.43433 9.27307 9.92283 5.0812 numMergedOcc 0
15 mol 112 unq 0 iso 1 dist 9.71246 9.27307 9.92283 5.21064 6.43433 5.0812 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 7.2882 13.0713 8.86329 11.4089 8.71039 5.55373 numMergedOcc 0
17 mol 131 unq 0 iso 1 dist 7.2882 11.4089 8.71039 13.0713 8.86329 5.55373 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 7.29431 12.0685 9.15431 11.4089 6.92648 7.58238 numMergedOcc 0
19 mol 131 unq 1 iso 1 dist 7.29431 11.4089 6.92648 12.0685 9.15431 7.58238 numMergedOcc 0
20 mol 131 unq 2 iso 0 dist 7.29431 12.0685 9.15431 15.3289 9.29384 13.2572 numMergedOcc 0
21 mol 131 unq 2 iso 1 dist 7.29431 15.3289 9.29384 12.0685 9.15431 13.2572 numMergedOcc 0
22 mol 131 unq 2 iso 0 dist 7.29431 11.4089 6.92648 15.3289 9.29384 6.63273 numMergedOcc 0
23 mol 131 unq 2 iso 1 dist 7.29431 15.3289 9.29384 11.4089 6.92648 6.63273 numMergedOcc 0
24 mol 131 unq 3 iso 0 dist 5.5811 9.89836 9.15431 6.84632 6.92648 7.58238 numMergedOcc 0
25 mol 131 unq 3 iso 1 dist 5.5811 6.84632 6.92648 9.89836 9.15431 7.58238 numMergedOcc 0
26 mol 131 unq 4 iso 0 dist 5.5811 9.89836 9.15431 6.24204 9.29384 13.2572 numMergedOcc 0
27 mol 131 unq 4 iso 1 dist 5.5811 6.24204 9.29384 9.89836 9.15431 13.2572 numMergedOcc 0
28 mol 131 unq 4 iso 0 dist 5.5811 6.84632 6.92648 6.24204 9.29384 6.63273 numMergedOcc 0
29 mol 131 unq 4 iso 1 dist 5.5811 6.24204 9.29384 6.84632 6.92648 6.63273 numMergedOcc 0
30 mol 214 unq 0 iso 0 dist 8.72988 8.83001 7.05523 6.96634 8.46327 12.7897 numMergedOcc 0
31 mol 214 unq 0 iso 1 dist 8.72988 6.96634 8.46327 8.83001 7.05523 12.7897 numMergedOcc 0
32 mol 230 unq 0 iso 0 dist 9.64399 16.0775 9.09271 15.033 7.44838 5.53477 numMergedOcc 0
33 mol 230 unq 0 iso 1 dist 9.64399 15.033 7.44838 16.0775 9.09271 5.53477 numMergedOcc 0
34 mol 230 unq 1 iso 0 dist 5.74356 8.4421 9.09271 5.04708 7.44838 5.53477 numMergedOcc 0
35 mol 230 unq 1 iso 1 dist 5.74356 5.04708 7.44838 8.4421 9.09271 5.53477 numMergedOcc 0
36 mol 230 unq 2 iso 0 dist 5.13701 7.60811 9.09271 6.84232 7.44838 5.53477 numMergedOcc 0
37 mol 230 unq 2 iso 1 dist 5.13701 6.84232 7.44838 7.60811 9.09271 5.53477 numMergedOcc 0
38 mol 235 unq 0 iso 0 dist 9.16438 8.29672 6.39158 11.1407 7.75722 12.1984 numMergedOcc 0
39 mol 235 unq 0 iso 1 dist 9.16438 11.1407 7.75722 8.29672 6.39158 12.1984 numMergedOcc 0
40 mol 240 unq 0 iso 0 dist 8.28101 15.208 9.47583 14.9401 8.44909 4.28414 numMergedOcc 0
41 mol 240 unq 0 iso 1 dist 8.28101 14.9401 8.44909 15.208 9.47583 4.28414 numMergedOcc 0
42 mol 272 unq 0 iso 0 dist 9.13006 14.5343 9.64269 10.3334 6.88809 6.6954 numMergedOcc 0
43 mol 272 unq 0 iso 1 dist 9.13006 10.3334 6.88809 14.5343 9.64269 6.6954 numMergedOcc 0
44 mol 272 unq 1 iso 0 dist 9.13006 14.5343 9.64269 7.59176 8.46061 8.12676 numMergedOcc 0
45 mol 272 unq 1 iso 1 dist 9.13006 7.59176 8.46061 14.5343 9.64269 8.12676 numMergedOcc 0
46 mol 272 unq 1 iso 0 dist 9.13006 10.3334 6.88809 7.59176 8.46061 7.34222 numMergedOcc 0
47 mol 272 unq 1 iso 1 dist 9.13006 7.59176 8.46061 10.3334 6.88809 7.34222 numMergedOcc 0
48 mol 272 unq 2 iso 0 dist 8.42563 10.4754 9.64269 12.8342 6.88809 6.6954 numMergedOcc 0
49 mol 272 unq 2 iso 1 dist 8.42563 12.8342 6.88809 10.4754 9.64269 6.6954 numMergedOcc 0
50 mol 272 unq 3 iso 0 dist 8.42563 10.4754 9.64269 12.6468 8.46061 8.12676 numMergedOcc 0
51 mol 272 unq 3 iso 1 dist 8.42563 12.6468 8.46061 10.4754 9.64269 8.12676 numMergedOcc 0
52 mol 272 unq 3 iso 0 dist 8.42563 12.8342 6.88809 12.6468 8.46061 7.34222 numMergedOcc 0
53 mol 272 unq 3 iso 1 dist 8.42563 12.6468 8.46061 12.8342 6.88809 7.34222 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 6.36266 7.43608 6.57903 6.22629 9.65707 6.59123 numMergedOcc 0
55 mol 277 unq 0 iso 1 dist 6.36266 6.22629 9.65707 7.43608 6.57903 6.59123 numMergedOcc 0
56 mol 279 unq 0 iso 0 dist 5.26264 9.82157 8.29305 5.17146 6.43341 6.67478 numMergedOcc 0
57 mol 279 unq 0 iso 1 dist 5.26264 5.17146 6.43341 9.82157 8.29305 6.67478 numMergedOcc 0
