0 mol 5 unq 0 iso 0 dist 7.92988 4.05341 4.9568 8.62847 4.42081 7.56229 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 5.78968 10.4041 7.25138 9.51893 5.56988 7.16844 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 5.16558 7.68524 8.4702 6.89527 3.77705 5.88409 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 7.17678 6.25587 5.75135 9.18161 4.69809 9.08745 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.04935 8.47393 7.06029 8.52697 10.0025 9.04293 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 9.04935 8.47393 7.06029 9.9818 6.35003 4.78333 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 9.89076 5.53904 9.53663 11.3993 7.58448 8.96045 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 8.52947 10.8428 5.10693 12.2152 3.91263 6.67678 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 8.52947 12.1443 6.58814 12.2152 3.91263 7.24956 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 8.52947 6.46649 6.13459 12.2152 3.91263 8.28591 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 8.52947 6.46649 6.13459 10.9933 5.59024 5.35008 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 8.52947 6.46649 6.13459 12.8106 12.9872 8.30921 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 8.52947 7.18673 7.54391 12.2152 3.91263 9.40687 numMergedOcc 0
13 mol 93 unq 6 iso 0 dist 8.52947 7.18673 7.54391 10.9933 5.59024 8.84576 numMergedOcc 0
14 mol 93 unq 7 iso 0 dist 8.52947 7.18673 7.54391 12.8106 12.9872 7.39732 numMergedOcc 0
15 mol 93 unq 8 iso 0 dist 8.84466 13.6305 5.10693 9.43355 3.91263 6.67678 numMergedOcc 0
16 mol 93 unq 9 iso 0 dist 8.84466 14.1431 6.58814 9.43355 3.91263 7.24956 numMergedOcc 0
17 mol 93 unq 10 iso 0 dist 8.84466 3.99275 6.13459 9.43355 3.91263 8.28591 numMergedOcc 0
18 mol 93 unq 11 iso 0 dist 8.84466 3.99275 6.13459 5.64141 5.59024 5.35008 numMergedOcc 0
19 mol 93 unq 12 iso 0 dist 8.84466 3.99275 6.13459 5.46186 12.9872 8.30921 numMergedOcc 0
20 mol 93 unq 13 iso 0 dist 8.84466 6.46195 7.54391 9.43355 3.91263 9.40687 numMergedOcc 0
21 mol 93 unq 14 iso 0 dist 8.84466 6.46195 7.54391 5.64141 5.59024 8.84576 numMergedOcc 0
22 mol 93 unq 15 iso 0 dist 8.84466 6.46195 7.54391 5.46186 12.9872 7.39732 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 8.56204 3.86496 7.33643 10.2304 14.6592 9.06172 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 8.56204 3.86496 7.33643 8.66311 14.9735 8.93091 numMergedOcc 0
25 mol 176 unq 0 iso 0 dist 9.84843 8.44347 9.09554 11.4224 3.94408 9.9109 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 7.45384 12.0957 9.14525 10.1532 5.22626 8.92135 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 6.81644 5.38511 6.46793 7.13476 6.76489 9.53137 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 5.49794 3.83238 5.96259 5.35326 3.77031 4.98693 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 8.19213 3.76412 8.82649 9.98518 10.8866 8.06767 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 8.19213 3.76412 8.82649 10.8038 6.15828 9.91087 numMergedOcc 0
31 mol 287 unq 2 iso 0 dist 5.80664 3.76412 7.35776 9.98518 7.54288 8.06767 numMergedOcc 0
32 mol 287 unq 3 iso 0 dist 5.80664 3.76412 7.35776 10.8038 13.3294 9.91087 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 8.19213 3.76412 8.82649 9.98518 10.8866 8.06767 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 8.19213 3.76412 8.82649 10.8038 6.15828 9.91087 numMergedOcc 0
35 mol 288 unq 2 iso 0 dist 5.80664 3.76412 7.35776 9.98518 7.54288 8.06767 numMergedOcc 0
36 mol 288 unq 3 iso 0 dist 5.80664 3.76412 7.35776 10.8038 13.3294 9.91087 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 8.19213 3.76412 8.82649 9.98518 10.8866 8.06767 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 8.19213 3.76412 8.82649 10.8038 6.15828 9.91087 numMergedOcc 0
39 mol 289 unq 2 iso 0 dist 5.80664 3.76412 7.35776 9.98518 7.54288 8.06767 numMergedOcc 0
40 mol 289 unq 3 iso 0 dist 5.80664 3.76412 7.35776 10.8038 13.3294 9.91087 numMergedOcc 0
