0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 7.876 5.88545 8.20465 5.17568 10.4158 6.82505 8.63502 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 9.97507 8.38064 9.03536 7.876 8.20465 5.88545 5.17568 6.82505 10.4158 8.63502 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 6.79185 11.1338 5.54797 5.06502 10.5523 5.73819 8.92291 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 6.20293 8.80331 8.13395 6.79185 5.54797 11.1338 5.06502 5.73819 10.5523 8.92291 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.80331 6.20293 8.13395 6.79185 11.1338 5.54797 6.45462 14.7803 8.93915 8.37962 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 6.20293 8.80331 8.13395 6.79185 5.54797 11.1338 6.45462 8.93915 14.7803 8.37962 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 9.33919 15.9091 7.9151 5.4148 10.2049 6.19304 9.79143 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 9.33919 7.9151 15.9091 5.4148 6.19304 10.2049 9.79143 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.38498 9.96396 15.7123 9.33919 15.9091 7.9151 14.9342 20.257 8.70481 6.43377 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 9.96396 9.38498 15.7123 9.33919 7.9151 15.9091 14.9342 8.70481 20.257 6.43377 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 9.38498 9.75218 13.7412 9.33919 15.9091 5.44172 5.4148 10.2049 11.6369 9.79143 numMergedOcc 0
11 mol 73 unq 2 iso 1 dist 9.75218 9.38498 13.7412 9.33919 5.44172 15.9091 5.4148 11.6369 10.2049 9.79143 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 9.38498 9.75218 13.7412 9.33919 15.9091 5.44172 14.9342 20.257 10.1207 6.43377 numMergedOcc 0
13 mol 73 unq 3 iso 1 dist 9.75218 9.38498 13.7412 9.33919 5.44172 15.9091 14.9342 10.1207 20.257 6.43377 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 9.33919 7.9151 5.44172 5.4148 6.19304 11.6369 9.79143 numMergedOcc 0
15 mol 73 unq 2 iso 1 dist 9.75218 9.96396 12.016 9.33919 5.44172 7.9151 5.4148 11.6369 6.19304 9.79143 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 9.33919 7.9151 5.44172 14.9342 8.70481 10.1207 6.43377 numMergedOcc 0
17 mol 73 unq 3 iso 1 dist 9.75218 9.96396 12.016 9.33919 5.44172 7.9151 14.9342 10.1207 8.70481 6.43377 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.30021 10.4545 12.3178 6.9948 7.47541 7.66905 5.62635 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 6.19965 7.97049 5.42586 9.30021 12.3178 10.4545 6.9948 7.66905 7.47541 5.62635 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 5.62635 10.4545 12.3178 6.9948 7.97049 6.19965 9.30021 numMergedOcc 0
21 mol 85 unq 1 iso 1 dist 7.66905 7.47541 5.42586 5.62635 12.3178 10.4545 6.9948 6.19965 7.97049 9.30021 numMergedOcc 0
22 mol 85 unq 2 iso 0 dist 7.47541 5.73196 6.87425 5.62635 10.4545 7.43006 6.9948 7.97049 11.2656 9.30021 numMergedOcc 0
23 mol 85 unq 2 iso 1 dist 5.73196 7.47541 6.87425 5.62635 7.43006 10.4545 6.9948 11.2656 7.97049 9.30021 numMergedOcc 0
24 mol 85 unq 2 iso 0 dist 7.66905 5.73196 10.1164 5.62635 12.3178 7.43006 6.9948 6.19965 11.2656 9.30021 numMergedOcc 0
25 mol 85 unq 2 iso 1 dist 5.73196 7.66905 10.1164 5.62635 7.43006 12.3178 6.9948 11.2656 6.19965 9.30021 numMergedOcc 0
26 mol 127 unq 0 iso 0 dist 8.14887 9.30299 7.30196 5.72373 10.2773 10.7123 5.55757 12.8743 14.7391 7.20988 numMergedOcc 0
27 mol 127 unq 0 iso 1 dist 9.30299 8.14887 7.30196 5.72373 10.7123 10.2773 5.55757 14.7391 12.8743 7.20988 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.29155 6.80239 7.81217 4.51266 5.47259 4.70102 8.18495 13.268 12.6651 9.64695 numMergedOcc 0
29 mol 133 unq 0 iso 1 dist 6.80239 6.29155 7.81217 4.51266 4.70102 5.47259 8.18495 12.6651 13.268 9.64695 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 6.29155 8.00618 11.965 4.51266 5.47259 6.56917 8.18495 13.268 7.11802 9.64695 numMergedOcc 0
31 mol 133 unq 1 iso 1 dist 8.00618 6.29155 11.965 4.51266 6.56917 5.47259 8.18495 7.11802 13.268 9.64695 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 6.80239 8.00618 7.79672 4.51266 4.70102 6.56917 8.18495 12.6651 7.11802 9.64695 numMergedOcc 0
33 mol 133 unq 1 iso 1 dist 8.00618 6.80239 7.79672 4.51266 6.56917 4.70102 8.18495 7.11802 12.6651 9.64695 numMergedOcc 0
34 mol 175 unq 0 iso 0 dist 9.0018 7.652 7.42466 5.08591 8.19969 5.33769 6.2715 5.6234 9.92231 8.03727 numMergedOcc 0
35 mol 175 unq 0 iso 1 dist 7.652 9.0018 7.42466 5.08591 5.33769 8.19969 6.2715 9.92231 5.6234 8.03727 numMergedOcc 0
36 mol 175 unq 1 iso 0 dist 5.6234 9.92231 7.42466 8.03727 8.19969 5.33769 6.2715 9.0018 7.652 5.08591 numMergedOcc 0
37 mol 175 unq 1 iso 1 dist 9.92231 5.6234 7.42466 8.03727 5.33769 8.19969 6.2715 7.652 9.0018 5.08591 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 7.03423 9.06952 6.84129 7.38552 5.31837 4.74734 7.9315 10.95 11.7179 7.77578 numMergedOcc 0
39 mol 229 unq 0 iso 1 dist 9.06952 7.03423 6.84129 7.38552 4.74734 5.31837 7.9315 11.7179 10.95 7.77578 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 7.72403 10.3378 8.83842 5.88703 12.9605 9.45496 6.35438 numMergedOcc 0
41 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 7.72403 8.83842 10.3378 5.88703 9.45496 12.9605 6.35438 numMergedOcc 0
42 mol 234 unq 1 iso 0 dist 8.34494 6.56247 6.29886 7.72403 10.3378 8.83842 15.2225 19.889 17.458 9.57132 numMergedOcc 0
43 mol 234 unq 1 iso 1 dist 6.56247 8.34494 6.29886 7.72403 8.83842 10.3378 15.2225 17.458 19.889 9.57132 numMergedOcc 0
44 mol 234 unq 2 iso 0 dist 8.34494 9.36357 12.1694 7.72403 10.3378 5.43327 5.88703 12.9605 6.7625 6.35438 numMergedOcc 0
45 mol 234 unq 2 iso 1 dist 9.36357 8.34494 12.1694 7.72403 5.43327 10.3378 5.88703 6.7625 12.9605 6.35438 numMergedOcc 0
46 mol 234 unq 3 iso 0 dist 8.34494 9.36357 12.1694 7.72403 10.3378 5.43327 15.2225 19.889 10.701 9.57132 numMergedOcc 0
47 mol 234 unq 3 iso 1 dist 9.36357 8.34494 12.1694 7.72403 5.43327 10.3378 15.2225 10.701 19.889 9.57132 numMergedOcc 0
48 mol 234 unq 2 iso 0 dist 6.56247 9.36357 7.82322 7.72403 8.83842 5.43327 5.88703 9.45496 6.7625 6.35438 numMergedOcc 0
49 mol 234 unq 2 iso 1 dist 9.36357 6.56247 7.82322 7.72403 5.43327 8.83842 5.88703 6.7625 9.45496 6.35438 numMergedOcc 0
50 mol 234 unq 3 iso 0 dist 6.56247 9.36357 7.82322 7.72403 8.83842 5.43327 15.2225 17.458 10.701 9.57132 numMergedOcc 0
51 mol 234 unq 3 iso 1 dist 9.36357 6.56247 7.82322 7.72403 5.43327 8.83842 15.2225 10.701 17.458 9.57132 numMergedOcc 0
52 mol 234 unq 4 iso 0 dist 9.45496 6.7625 7.82322 6.35438 8.83842 5.43327 5.88703 6.56247 9.36357 7.72403 numMergedOcc 0
53 mol 234 unq 4 iso 1 dist 6.7625 9.45496 7.82322 6.35438 5.43327 8.83842 5.88703 9.36357 6.56247 7.72403 numMergedOcc 0
54 mol 234 unq 5 iso 0 dist 9.45496 6.7625 7.82322 6.35438 8.83842 5.43327 10.2693 17.458 10.701 9.57132 numMergedOcc 0
55 mol 234 unq 5 iso 1 dist 6.7625 9.45496 7.82322 6.35438 5.43327 8.83842 10.2693 10.701 17.458 9.57132 numMergedOcc 0
56 mol 273 unq 0 iso 0 dist 6.92774 9.01049 7.03728 6.70271 5.93427 5.29565 5.50577 9.95379 10.2273 6.08532 numMergedOcc 0
57 mol 273 unq 0 iso 1 dist 9.01049 6.92774 7.03728 6.70271 5.29565 5.93427 5.50577 10.2273 9.95379 6.08532 numMergedOcc 0
58 mol 273 unq 1 iso 0 dist 6.92774 9.2983 8.55278 6.70271 5.93427 11.0848 5.50577 9.95379 13.7772 6.08532 numMergedOcc 0
59 mol 273 unq 1 iso 1 dist 9.2983 6.92774 8.55278 6.70271 11.0848 5.93427 5.50577 13.7772 9.95379 6.08532 numMergedOcc 0
60 mol 273 unq 1 iso 0 dist 9.01049 9.2983 8.05475 6.70271 5.29565 11.0848 5.50577 10.2273 13.7772 6.08532 numMergedOcc 0
61 mol 273 unq 1 iso 1 dist 9.2983 9.01049 8.05475 6.70271 11.0848 5.29565 5.50577 13.7772 10.2273 6.08532 numMergedOcc 0
62 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 6.32856 11.5556 13.5073 9.15171 13.9359 17.2858 8.11169 numMergedOcc 0
63 mol 274 unq 0 iso 1 dist 8.49997 7.56915 6.33073 6.32856 13.5073 11.5556 9.15171 17.2858 13.9359 8.11169 numMergedOcc 0
