0 mol 30 unq 0 iso 0 dist 9.48779 15.6743 8.7817 14.7063 7.55415 5.26258 9.28546 8.58568 10.8374 7.95173 numMergedOcc 0
1 mol 30 unq 0 iso 1 dist 9.48779 14.7063 7.55415 15.6743 8.7817 5.26258 9.28546 8.58568 7.95173 10.8374 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 5.82266 8.03687 8.7817 5.00923 7.55415 5.26258 10.4378 8.58568 10.8374 7.95173 numMergedOcc 0
3 mol 30 unq 1 iso 1 dist 5.82266 5.00923 7.55415 8.03687 8.7817 5.26258 10.4378 8.58568 7.95173 10.8374 numMergedOcc 0
4 mol 30 unq 2 iso 0 dist 5.26067 7.68563 8.7817 6.96216 7.55415 5.26258 4.99274 8.58568 10.8374 7.95173 numMergedOcc 0
5 mol 30 unq 2 iso 1 dist 5.26067 6.96216 7.55415 7.68563 8.7817 5.26258 4.99274 8.58568 7.95173 10.8374 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 7.04255 7.07376 8.16733 7.1623 9.97569 7.49897 6.16159 5.18655 8.20144 11.997 numMergedOcc 0
7 mol 94 unq 0 iso 1 dist 7.04255 7.1623 9.97569 7.07376 8.16733 7.49897 6.16159 5.18655 11.997 8.20144 numMergedOcc 0
8 mol 94 unq 1 iso 0 dist 7.46708 4.44456 8.16733 8.92413 9.97569 7.49897 9.59783 5.18655 8.20144 11.997 numMergedOcc 0
9 mol 94 unq 1 iso 1 dist 7.46708 8.92413 9.97569 4.44456 8.16733 7.49897 9.59783 5.18655 11.997 8.20144 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 9.71246 5.21064 6.43433 9.27307 9.92283 5.0812 9.07168 7.82011 6.72991 8.57646 numMergedOcc 0
11 mol 112 unq 0 iso 1 dist 9.71246 9.27307 9.92283 5.21064 6.43433 5.0812 9.07168 7.82011 8.57646 6.72991 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.29431 12.0685 9.15431 11.4089 6.92648 7.58238 15.2824 9.39683 7.71288 4.89973 numMergedOcc 0
13 mol 131 unq 0 iso 1 dist 7.29431 11.4089 6.92648 12.0685 9.15431 7.58238 15.2824 9.39683 4.89973 7.71288 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 7.29431 12.0685 9.15431 15.3289 9.29384 13.2572 15.2824 9.39683 7.71288 7.00551 numMergedOcc 0
15 mol 131 unq 1 iso 1 dist 7.29431 15.3289 9.29384 12.0685 9.15431 13.2572 15.2824 9.39683 7.00551 7.71288 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 7.29431 11.4089 6.92648 15.3289 9.29384 6.63273 15.2824 9.39683 4.89973 7.00551 numMergedOcc 0
17 mol 131 unq 1 iso 1 dist 7.29431 15.3289 9.29384 11.4089 6.92648 6.63273 15.2824 9.39683 7.00551 4.89973 numMergedOcc 0
18 mol 131 unq 2 iso 0 dist 5.5811 9.89836 9.15431 6.84632 6.92648 7.58238 6.2367 9.39683 7.71288 4.89973 numMergedOcc 0
19 mol 131 unq 2 iso 1 dist 5.5811 6.84632 6.92648 9.89836 9.15431 7.58238 6.2367 9.39683 4.89973 7.71288 numMergedOcc 0
20 mol 131 unq 3 iso 0 dist 5.5811 9.89836 9.15431 6.24204 9.29384 13.2572 6.2367 9.39683 7.71288 7.00551 numMergedOcc 0
21 mol 131 unq 3 iso 1 dist 5.5811 6.24204 9.29384 9.89836 9.15431 13.2572 6.2367 9.39683 7.00551 7.71288 numMergedOcc 0
22 mol 131 unq 3 iso 0 dist 5.5811 6.84632 6.92648 6.24204 9.29384 6.63273 6.2367 9.39683 4.89973 7.00551 numMergedOcc 0
23 mol 131 unq 3 iso 1 dist 5.5811 6.24204 9.29384 6.84632 6.92648 6.63273 6.2367 9.39683 7.00551 4.89973 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 8.72988 8.83001 7.05523 6.96634 8.46327 12.7897 10.7561 7.2498 7.62375 10.7373 numMergedOcc 0
25 mol 214 unq 0 iso 1 dist 8.72988 6.96634 8.46327 8.83001 7.05523 12.7897 10.7561 7.2498 10.7373 7.62375 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 9.64399 16.0775 9.09271 15.033 7.44838 5.53477 9.56877 8.85215 11.2344 8.44099 numMergedOcc 0
27 mol 230 unq 0 iso 1 dist 9.64399 15.033 7.44838 16.0775 9.09271 5.53477 9.56877 8.85215 8.44099 11.2344 numMergedOcc 0
28 mol 230 unq 1 iso 0 dist 5.74356 8.4421 9.09271 5.04708 7.44838 5.53477 11.0481 8.85215 11.2344 8.44099 numMergedOcc 0
29 mol 230 unq 1 iso 1 dist 5.74356 5.04708 7.44838 8.4421 9.09271 5.53477 11.0481 8.85215 8.44099 11.2344 numMergedOcc 0
30 mol 230 unq 2 iso 0 dist 5.13701 7.60811 9.09271 6.84232 7.44838 5.53477 5.33166 8.85215 11.2344 8.44099 numMergedOcc 0
31 mol 230 unq 2 iso 1 dist 5.13701 6.84232 7.44838 7.60811 9.09271 5.53477 5.33166 8.85215 8.44099 11.2344 numMergedOcc 0
32 mol 240 unq 0 iso 0 dist 8.28101 15.208 9.47583 14.9401 8.44909 4.28414 11.2258 8.33853 10.7371 7.75407 numMergedOcc 0
33 mol 240 unq 0 iso 1 dist 8.28101 14.9401 8.44909 15.208 9.47583 4.28414 11.2258 8.33853 7.75407 10.7371 numMergedOcc 0
34 mol 240 unq 1 iso 0 dist 8.28101 15.208 9.47583 14.9401 8.44909 4.28414 5.96112 5.66537 13.9225 12.076 numMergedOcc 0
35 mol 240 unq 1 iso 1 dist 8.28101 14.9401 8.44909 15.208 9.47583 4.28414 5.96112 5.66537 12.076 13.9225 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 9.13006 14.5343 9.64269 10.3334 6.88809 6.6954 14.0414 7.55161 4.72202 8.5751 numMergedOcc 0
37 mol 272 unq 0 iso 1 dist 9.13006 10.3334 6.88809 14.5343 9.64269 6.6954 14.0414 7.55161 8.5751 4.72202 numMergedOcc 0
38 mol 272 unq 1 iso 0 dist 9.13006 14.5343 9.64269 7.59176 8.46061 8.12676 14.0414 7.55161 4.72202 8.52877 numMergedOcc 0
39 mol 272 unq 1 iso 1 dist 9.13006 7.59176 8.46061 14.5343 9.64269 8.12676 14.0414 7.55161 8.52877 4.72202 numMergedOcc 0
40 mol 272 unq 1 iso 0 dist 9.13006 10.3334 6.88809 7.59176 8.46061 7.34222 14.0414 7.55161 8.5751 8.52877 numMergedOcc 0
41 mol 272 unq 1 iso 1 dist 9.13006 7.59176 8.46061 10.3334 6.88809 7.34222 14.0414 7.55161 8.52877 8.5751 numMergedOcc 0
42 mol 272 unq 2 iso 0 dist 8.42563 10.4754 9.64269 12.8342 6.88809 6.6954 5.85512 7.55161 4.72202 8.5751 numMergedOcc 0
43 mol 272 unq 2 iso 1 dist 8.42563 12.8342 6.88809 10.4754 9.64269 6.6954 5.85512 7.55161 8.5751 4.72202 numMergedOcc 0
44 mol 272 unq 3 iso 0 dist 8.42563 10.4754 9.64269 12.6468 8.46061 8.12676 5.85512 7.55161 4.72202 8.52877 numMergedOcc 0
45 mol 272 unq 3 iso 1 dist 8.42563 12.6468 8.46061 10.4754 9.64269 8.12676 5.85512 7.55161 8.52877 4.72202 numMergedOcc 0
46 mol 272 unq 3 iso 0 dist 8.42563 12.8342 6.88809 12.6468 8.46061 7.34222 5.85512 7.55161 8.5751 8.52877 numMergedOcc 0
47 mol 272 unq 3 iso 1 dist 8.42563 12.6468 8.46061 12.8342 6.88809 7.34222 5.85512 7.55161 8.52877 8.5751 numMergedOcc 0
48 mol 277 unq 0 iso 0 dist 6.36266 7.43608 6.57903 6.22629 9.65707 6.59123 4.90291 7.25677 9.92201 7.29899 numMergedOcc 0
49 mol 277 unq 0 iso 1 dist 6.36266 6.22629 9.65707 7.43608 6.57903 6.59123 4.90291 7.25677 7.29899 9.92201 numMergedOcc 0
50 mol 279 unq 0 iso 0 dist 5.26264 9.82157 8.29305 5.17146 6.43341 6.67478 7.6493 8.23056 5.3373 7.18967 numMergedOcc 0
51 mol 279 unq 0 iso 1 dist 5.26264 5.17146 6.43341 9.82157 8.29305 6.67478 7.6493 8.23056 7.18967 5.3373 numMergedOcc 0
