0 mol 10 unq 0 iso 0 dist 6.74091 8.12738 8.44792 4.06691 4.94198 8.45469 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 6.74091 4.06691 4.94198 8.12738 8.44792 8.45469 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 6.74091 8.12738 8.44792 10.1984 9.62353 16.6607 numMergedOcc 0
3 mol 10 unq 1 iso 1 dist 6.74091 10.1984 9.62353 8.12738 8.44792 16.6607 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 6.74091 4.06691 4.94198 10.1984 9.62353 8.52733 numMergedOcc 0
5 mol 10 unq 1 iso 1 dist 6.74091 10.1984 9.62353 4.06691 4.94198 8.52733 numMergedOcc 0
6 mol 17 unq 0 iso 0 dist 5.61893 4.0384 4.64234 4.31247 6.26254 3.14198 numMergedOcc 0
7 mol 17 unq 0 iso 1 dist 5.61893 4.31247 6.26254 4.0384 4.64234 3.14198 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 5.29367 4.88554 8.97566 8.73565 8.81085 9.30148 numMergedOcc 0
9 mol 26 unq 0 iso 1 dist 5.29367 8.73565 8.81085 4.88554 8.97566 9.30148 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 5.78968 3.86946 8.7531 10.4041 7.25138 14.2375 numMergedOcc 0
11 mol 62 unq 0 iso 1 dist 5.78968 10.4041 7.25138 3.86946 8.7531 14.2375 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 8.61468 13.4907 8.48827 10.4533 7.14048 3.24688 numMergedOcc 0
13 mol 78 unq 0 iso 1 dist 8.61468 10.4533 7.14048 13.4907 8.48827 3.24688 numMergedOcc 0
14 mol 78 unq 1 iso 0 dist 6.27186 13.4907 8.03895 10.4533 5.68873 3.24688 numMergedOcc 0
15 mol 78 unq 1 iso 1 dist 6.27186 10.4533 5.68873 13.4907 8.03895 3.24688 numMergedOcc 0
16 mol 88 unq 0 iso 0 dist 5.59846 6.02019 8.56269 9.17488 9.40699 12.9011 numMergedOcc 0
17 mol 88 unq 0 iso 1 dist 5.59846 9.17488 9.40699 6.02019 8.56269 12.9011 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 8.52947 10.8428 5.10693 12.1443 6.58814 2.81832 numMergedOcc 0
19 mol 93 unq 0 iso 1 dist 8.52947 12.1443 6.58814 10.8428 5.10693 2.81832 numMergedOcc 0
20 mol 93 unq 1 iso 0 dist 8.52947 10.8428 5.10693 6.46649 6.13459 10.7776 numMergedOcc 0
21 mol 93 unq 1 iso 1 dist 8.52947 6.46649 6.13459 10.8428 5.10693 10.7776 numMergedOcc 0
22 mol 93 unq 2 iso 0 dist 8.52947 10.8428 5.10693 7.18673 7.54391 10.4844 numMergedOcc 0
23 mol 93 unq 2 iso 1 dist 8.52947 7.18673 7.54391 10.8428 5.10693 10.4844 numMergedOcc 0
24 mol 93 unq 1 iso 0 dist 8.52947 12.1443 6.58814 6.46649 6.13459 11.7564 numMergedOcc 0
25 mol 93 unq 1 iso 1 dist 8.52947 6.46649 6.13459 12.1443 6.58814 11.7564 numMergedOcc 0
26 mol 93 unq 2 iso 0 dist 8.52947 12.1443 6.58814 7.18673 7.54391 10.3262 numMergedOcc 0
27 mol 93 unq 2 iso 1 dist 8.52947 7.18673 7.54391 12.1443 6.58814 10.3262 numMergedOcc 0
28 mol 93 unq 2 iso 0 dist 8.52947 6.46649 6.13459 7.18673 7.54391 5.02964 numMergedOcc 0
29 mol 93 unq 2 iso 1 dist 8.52947 7.18673 7.54391 6.46649 6.13459 5.02964 numMergedOcc 0
30 mol 93 unq 3 iso 0 dist 8.84466 13.6305 5.10693 14.1431 6.58814 2.81832 numMergedOcc 0
31 mol 93 unq 3 iso 1 dist 8.84466 14.1431 6.58814 13.6305 5.10693 2.81832 numMergedOcc 0
32 mol 93 unq 4 iso 0 dist 8.84466 13.6305 5.10693 3.99275 6.13459 10.7776 numMergedOcc 0
33 mol 93 unq 4 iso 1 dist 8.84466 3.99275 6.13459 13.6305 5.10693 10.7776 numMergedOcc 0
34 mol 93 unq 5 iso 0 dist 8.84466 13.6305 5.10693 6.46195 7.54391 10.4844 numMergedOcc 0
35 mol 93 unq 5 iso 1 dist 8.84466 6.46195 7.54391 13.6305 5.10693 10.4844 numMergedOcc 0
36 mol 93 unq 4 iso 0 dist 8.84466 14.1431 6.58814 3.99275 6.13459 11.7564 numMergedOcc 0
37 mol 93 unq 4 iso 1 dist 8.84466 3.99275 6.13459 14.1431 6.58814 11.7564 numMergedOcc 0
38 mol 93 unq 5 iso 0 dist 8.84466 14.1431 6.58814 6.46195 7.54391 10.3262 numMergedOcc 0
39 mol 93 unq 5 iso 1 dist 8.84466 6.46195 7.54391 14.1431 6.58814 10.3262 numMergedOcc 0
40 mol 93 unq 5 iso 0 dist 8.84466 3.99275 6.13459 6.46195 7.54391 5.02964 numMergedOcc 0
41 mol 93 unq 5 iso 1 dist 8.84466 6.46195 7.54391 3.99275 6.13459 5.02964 numMergedOcc 0
42 mol 147 unq 0 iso 0 dist 6.28769 7.56825 8.76449 5.56838 8.36182 3.6066 numMergedOcc 0
43 mol 147 unq 0 iso 1 dist 6.28769 5.56838 8.36182 7.56825 8.76449 3.6066 numMergedOcc 0
44 mol 183 unq 0 iso 0 dist 8.53483 13.7852 7.16035 9.09406 6.2675 5.6959 numMergedOcc 0
45 mol 183 unq 0 iso 1 dist 8.53483 9.09406 6.2675 13.7852 7.16035 5.6959 numMergedOcc 0
46 mol 183 unq 1 iso 0 dist 8.58404 11.9399 7.16035 9.29513 6.2675 5.6959 numMergedOcc 0
47 mol 183 unq 1 iso 1 dist 8.58404 9.29513 6.2675 11.9399 7.16035 5.6959 numMergedOcc 0
48 mol 183 unq 2 iso 0 dist 8.1126 11.9399 9.61725 9.29513 9.52042 5.6959 numMergedOcc 0
49 mol 183 unq 2 iso 1 dist 8.1126 9.29513 9.52042 11.9399 9.61725 5.6959 numMergedOcc 0
50 mol 244 unq 0 iso 0 dist 7.00974 8.83892 5.16859 6.49718 4.79207 5.86449 numMergedOcc 0
51 mol 244 unq 0 iso 1 dist 7.00974 6.49718 4.79207 8.83892 5.16859 5.86449 numMergedOcc 0
52 mol 253 unq 0 iso 0 dist 7.02076 9.06758 8.71119 7.93354 6.21648 9.28234 numMergedOcc 0
53 mol 253 unq 0 iso 1 dist 7.02076 7.93354 6.21648 9.06758 8.71119 9.28234 numMergedOcc 0
54 mol 287 unq 0 iso 0 dist 5.80664 3.76412 7.35776 5.39384 9.59195 4.68872 numMergedOcc 0
55 mol 287 unq 0 iso 1 dist 5.80664 5.39384 9.59195 3.76412 7.35776 4.68872 numMergedOcc 0
56 mol 288 unq 0 iso 0 dist 5.80664 3.76412 7.35776 5.39384 9.59195 4.68872 numMergedOcc 0
57 mol 288 unq 0 iso 1 dist 5.80664 5.39384 9.59195 3.76412 7.35776 4.68872 numMergedOcc 0
58 mol 289 unq 0 iso 0 dist 5.80664 3.76412 7.35776 5.39384 9.59195 4.68872 numMergedOcc 0
59 mol 289 unq 0 iso 1 dist 5.80664 5.39384 9.59195 3.76412 7.35776 4.68872 numMergedOcc 0
60 mol 294 unq 0 iso 0 dist 8.88961 11.7154 7.48987 9.30905 8.35637 10.1889 numMergedOcc 0
61 mol 294 unq 0 iso 1 dist 8.88961 9.30905 8.35637 11.7154 7.48987 10.1889 numMergedOcc 0
