0 mol 0 unq 0 iso 0 dist 8.27602 7.41411 9.72725 10.9078 6.0225 7.65806 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.63347 5.38671 6.57331 8.33883 4.65873 5.05803 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.63347 5.45161 8.43054 8.33883 4.65873 6.31718 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 8.63347 5.45161 8.43054 9.79958 9.81307 7.63133 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 8.43157 4.96555 5.65084 13.7283 12.6536 9.51761 numMergedOcc 0
5 mol 18 unq 1 iso 0 dist 8.43157 4.96555 5.65084 11.0264 9.36767 7.3094 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 9.10473 13.7275 7.52933 13.353 5.03027 5.04899 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 9.94577 9.36442 4.79873 16.0243 10.2864 7.57578 numMergedOcc 0
8 mol 25 unq 2 iso 0 dist 9.94577 9.36442 4.79873 14.4726 11.4148 7.17969 numMergedOcc 0
9 mol 25 unq 3 iso 0 dist 9.20827 13.7275 8.23761 13.353 8.17061 5.04899 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 8.03914 12.1132 6.66407 12.5807 5.07458 5.73819 numMergedOcc 0
11 mol 43 unq 1 iso 0 dist 9.04174 9.97169 6.66407 12.2944 5.07458 5.73819 numMergedOcc 0
12 mol 43 unq 2 iso 0 dist 9.23033 6.6796 6.6263 13.3486 5.41726 8.80331 numMergedOcc 0
13 mol 43 unq 3 iso 0 dist 9.23033 10.2523 6.75943 12.49 4.96926 5.73819 numMergedOcc 0
14 mol 43 unq 4 iso 0 dist 9.23033 10.2523 6.75943 13.3486 5.41726 6.20293 numMergedOcc 0
15 mol 43 unq 5 iso 0 dist 9.23033 10.2523 6.75943 17.9394 10.0383 8.93915 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 9.86502 7.06403 7.66093 12.2812 7.07356 9.78528 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 7.91605 6.71593 5.5087 14.6361 11.2069 8.70481 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 6.43707 6.71593 6.08682 14.6361 10.6713 8.70481 numMergedOcc 0
19 mol 88 unq 0 iso 0 dist 6.89706 6.07226 7.80898 14.6182 12.1193 9.36773 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 9.48388 7.72576 7.06939 13.6446 4.3481 9.33898 numMergedOcc 0
21 mol 92 unq 1 iso 0 dist 8.67475 10.7572 8.3773 4.98104 4.46885 7.4729 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 8.32738 5.78906 6.04595 11.1013 5.03039 7.30858 numMergedOcc 0
23 mol 130 unq 0 iso 0 dist 6.98077 5.50335 6.93139 10.0634 4.97996 8.70949 numMergedOcc 0
24 mol 142 unq 0 iso 0 dist 8.21936 9.20754 7.18002 15.1896 13.5913 9.2313 numMergedOcc 0
25 mol 142 unq 1 iso 0 dist 8.21936 9.20754 7.18002 14.4987 9.99555 7.73169 numMergedOcc 0
26 mol 142 unq 2 iso 0 dist 8.21936 9.20754 7.18002 13.691 6.52253 8.96657 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 6.45477 4.98373 7.36975 9.73212 13.1926 5.99315 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 5.44814 5.4432 5.37047 9.32441 4.78563 5.99315 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 8.78112 9.66339 8.9192 9.10619 4.84714 8.56324 numMergedOcc 0
30 mol 170 unq 0 iso 0 dist 8.95292 11.2005 9.51256 11.2959 4.78249 9.76807 numMergedOcc 0
31 mol 178 unq 0 iso 0 dist 6.95432 12.2822 7.06025 8.0974 6.42973 6.69288 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 9.82338 10.568 6.61112 16.7935 11.0961 7.54065 numMergedOcc 0
33 mol 222 unq 0 iso 0 dist 5.07975 5.66819 5.56538 11.0097 6.84862 7.21333 numMergedOcc 0
34 mol 222 unq 1 iso 0 dist 4.85015 5.66819 7.48954 11.0097 9.53117 7.21333 numMergedOcc 0
35 mol 223 unq 0 iso 0 dist 8.85178 4.67731 6.42257 12.0111 4.04036 8.77153 numMergedOcc 0
36 mol 223 unq 1 iso 0 dist 8.85178 4.67731 6.42257 10.6785 9.47076 8.6166 numMergedOcc 0
37 mol 223 unq 2 iso 0 dist 9.73123 4.67731 9.33543 12.0111 13.1538 8.77153 numMergedOcc 0
38 mol 223 unq 3 iso 0 dist 9.73123 4.67731 9.33543 10.6785 5.39728 8.6166 numMergedOcc 0
39 mol 223 unq 4 iso 0 dist 7.8233 5.39302 6.42257 10.8604 4.04036 8.77153 numMergedOcc 0
40 mol 223 unq 5 iso 0 dist 7.8233 5.39302 6.42257 13.7049 9.47076 8.6166 numMergedOcc 0
41 mol 223 unq 6 iso 0 dist 5.50267 7.19485 6.42257 9.5211 4.04036 8.77153 numMergedOcc 0
42 mol 223 unq 7 iso 0 dist 5.50267 7.19485 6.42257 13.3416 9.47076 8.6166 numMergedOcc 0
43 mol 224 unq 0 iso 0 dist 8.83742 10.9485 8.08349 12.5309 5.13732 6.61986 numMergedOcc 0
44 mol 232 unq 0 iso 0 dist 9.11418 4.90814 6.71524 11.2186 5.10213 8.27212 numMergedOcc 0
45 mol 236 unq 0 iso 0 dist 6.92437 5.74377 8.23087 8.77254 4.66414 8.04248 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 6.83837 7.34986 9.08509 10.5481 12.7938 6.22714 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 6.83837 7.34986 9.08509 11.963 11.0772 7.31233 numMergedOcc 0
48 mol 239 unq 0 iso 0 dist 7.69491 5.29737 6.73665 6.37342 10.6736 6.16342 numMergedOcc 0
49 mol 239 unq 1 iso 0 dist 6.64008 11.4465 6.73665 15.8376 10.6736 6.16342 numMergedOcc 0
50 mol 243 unq 0 iso 0 dist 8.07313 5.14134 8.69318 10.6972 5.71505 8.23192 numMergedOcc 0
51 mol 243 unq 1 iso 0 dist 7.89993 12.7467 8.67156 17.0043 9.89868 8.23192 numMergedOcc 0
52 mol 248 unq 0 iso 0 dist 7.90773 4.53213 9.05018 8.71859 4.58289 7.69895 numMergedOcc 0
53 mol 252 unq 0 iso 0 dist 4.54745 5.26867 7.15764 9.73021 7.40852 7.19638 numMergedOcc 0
54 mol 273 unq 0 iso 0 dist 9.45329 7.52275 9.59325 12.4988 12.2939 9.01049 numMergedOcc 0
55 mol 276 unq 0 iso 0 dist 7.11952 9.95911 8.6759 15.3786 9.39944 9.8993 numMergedOcc 0
56 mol 276 unq 1 iso 0 dist 7.11952 9.95911 8.6759 13.3495 8.26321 6.87396 numMergedOcc 0
