0 mol 24 unq 0 iso 0 dist 8.14598 9.20254 7.95042 6.85331 5.69214 6.86014 10.4452 5.11636 8.86116 10.0952 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.14598 9.20254 7.95042 10.4452 5.11636 8.86116 6.85331 5.69214 6.86014 10.0952 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 4.74069 7.46414 7.26639 8.80956 4.40004 7.50293 12.4417 8.68364 9.91611 5.79773 numMergedOcc 0
3 mol 38 unq 0 iso 1 dist 4.74069 7.46414 7.26639 12.4417 8.68364 9.91611 8.80956 4.40004 7.50293 5.79773 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 8.23073 7.95165 8.27883 10.1171 4.99174 9.03572 14.2142 8.67311 8.83255 6.59319 numMergedOcc 0
5 mol 95 unq 0 iso 1 dist 8.23073 7.95165 8.27883 14.2142 8.67311 8.83255 10.1171 4.99174 9.03572 6.59319 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 8.23073 7.95165 8.27883 10.1171 4.99174 9.03572 14.7115 15.6249 8.03644 16.6055 numMergedOcc 0
7 mol 95 unq 1 iso 1 dist 8.23073 7.95165 8.27883 14.7115 15.6249 8.03644 10.1171 4.99174 9.03572 16.6055 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 8.23073 7.95165 8.27883 14.2142 8.67311 8.83255 14.7115 15.6249 8.03644 13.8105 numMergedOcc 0
9 mol 95 unq 1 iso 1 dist 8.23073 7.95165 8.27883 14.7115 15.6249 8.03644 14.2142 8.67311 8.83255 13.8105 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.7105 9.71227 7.22643 7.15203 6.9945 8.22656 11.0475 4.19723 6.82262 5.61668 numMergedOcc 0
11 mol 133 unq 0 iso 1 dist 9.7105 9.71227 7.22643 11.0475 4.19723 6.82262 7.15203 6.9945 8.22656 5.61668 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.17216 13.4463 6.70693 13.9365 4.94983 5.87555 11.2249 5.39112 6.70283 5.42328 numMergedOcc 0
13 mol 152 unq 0 iso 1 dist 9.17216 13.4463 6.70693 11.2249 5.39112 6.70283 13.9365 4.94983 5.87555 5.42328 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 9.17216 13.4463 6.70693 13.9365 4.94983 5.87555 17.5113 9.67475 8.67331 5.54906 numMergedOcc 0
15 mol 152 unq 1 iso 1 dist 9.17216 13.4463 6.70693 17.5113 9.67475 8.67331 13.9365 4.94983 5.87555 5.54906 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 9.17216 13.4463 6.70693 11.2249 5.39112 6.70283 17.5113 9.67475 8.67331 6.4896 numMergedOcc 0
17 mol 152 unq 1 iso 1 dist 9.17216 13.4463 6.70693 17.5113 9.67475 8.67331 11.2249 5.39112 6.70283 6.4896 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 9.40483 11.3742 6.70693 13.1463 4.94983 5.87555 13.9298 5.39112 6.70283 5.42328 numMergedOcc 0
19 mol 152 unq 2 iso 1 dist 9.40483 11.3742 6.70693 13.9298 5.39112 6.70283 13.1463 4.94983 5.87555 5.42328 numMergedOcc 0
20 mol 152 unq 3 iso 0 dist 9.40483 11.3742 6.70693 13.1463 4.94983 5.87555 18.3042 9.67475 8.67331 5.54906 numMergedOcc 0
21 mol 152 unq 3 iso 1 dist 9.40483 11.3742 6.70693 18.3042 9.67475 8.67331 13.1463 4.94983 5.87555 5.54906 numMergedOcc 0
22 mol 152 unq 3 iso 0 dist 9.40483 11.3742 6.70693 13.9298 5.39112 6.70283 18.3042 9.67475 8.67331 6.4896 numMergedOcc 0
23 mol 152 unq 3 iso 1 dist 9.40483 11.3742 6.70693 18.3042 9.67475 8.67331 13.9298 5.39112 6.70283 6.4896 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 5.55218 13.8829 8.97626 14.5075 9.16779 7.46303 9.91732 4.91785 6.43582 7.66392 numMergedOcc 0
25 mol 155 unq 0 iso 1 dist 5.55218 13.8829 8.97626 9.91732 4.91785 6.43582 14.5075 9.16779 7.46303 7.66392 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 8.39573 12.5935 9.01624 13.3844 5.71898 7.81386 9.63295 5.93724 7.63312 8.85576 numMergedOcc 0
27 mol 181 unq 0 iso 1 dist 8.39573 12.5935 9.01624 9.63295 5.93724 7.63312 13.3844 5.71898 7.81386 8.85576 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.75579 4.25942 6.52816 9.82156 9.49403 6.03031 10.4618 13.514 7.26832 7.38516 numMergedOcc 0
29 mol 205 unq 0 iso 1 dist 6.75579 4.25942 6.52816 10.4618 13.514 7.26832 9.82156 9.49403 6.03031 7.38516 numMergedOcc 0
30 mol 205 unq 1 iso 0 dist 6.75579 4.25942 6.52816 9.82156 9.49403 6.03031 9.3629 3.56269 7.80463 8.18714 numMergedOcc 0
31 mol 205 unq 1 iso 1 dist 6.75579 4.25942 6.52816 9.3629 3.56269 7.80463 9.82156 9.49403 6.03031 8.18714 numMergedOcc 0
32 mol 205 unq 1 iso 0 dist 6.75579 4.25942 6.52816 10.4618 13.514 7.26832 9.3629 3.56269 7.80463 13.8543 numMergedOcc 0
33 mol 205 unq 1 iso 1 dist 6.75579 4.25942 6.52816 9.3629 3.56269 7.80463 10.4618 13.514 7.26832 13.8543 numMergedOcc 0
34 mol 223 unq 0 iso 0 dist 7.27963 10.6103 6.42257 10.5187 4.04036 8.77153 16.5225 9.47076 8.6166 8.51421 numMergedOcc 0
35 mol 223 unq 0 iso 1 dist 7.27963 10.6103 6.42257 16.5225 9.47076 8.6166 10.5187 4.04036 8.77153 8.51421 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 8.2518 11.0067 9.46361 16.342 12.2293 8.13497 13.6279 11.6988 7.88519 4.69778 numMergedOcc 0
37 mol 259 unq 0 iso 1 dist 8.2518 11.0067 9.46361 13.6279 11.6988 7.88519 16.342 12.2293 8.13497 4.69778 numMergedOcc 0
