0 mol 29 unq 0 iso 0 dist 5.36278 7.34641 7.50258 6.69806 8.53135 5.82508 numMergedOcc 0
1 mol 29 unq 0 iso 1 dist 7.50258 7.34641 5.36278 5.82508 8.53135 6.69806 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.98021 6.96922 7.36738 9.16641 8.46741 11.8377 numMergedOcc 0
3 mol 34 unq 0 iso 1 dist 7.36738 6.96922 8.98021 11.8377 8.46741 9.16641 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.84944 12.0149 7.21995 11.3412 7.67459 5.88097 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 7.21995 12.0149 8.84944 5.88097 7.67459 11.3412 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 9.24055 7.02539 9.66898 12.3514 9.34552 7.15478 numMergedOcc 0
7 mol 55 unq 0 iso 1 dist 9.66898 7.02539 9.24055 7.15478 9.34552 12.3514 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 9.04549 10.665 7.11706 5.85694 7.97386 5.50809 numMergedOcc 0
9 mol 61 unq 0 iso 1 dist 7.11706 10.665 9.04549 5.50809 7.97386 5.85694 numMergedOcc 0
10 mol 61 unq 1 iso 0 dist 9.04549 10.665 7.11706 9.84981 8.3814 6.58099 numMergedOcc 0
11 mol 61 unq 1 iso 1 dist 7.11706 10.665 9.04549 6.58099 8.3814 9.84981 numMergedOcc 0
12 mol 64 unq 0 iso 0 dist 8.52643 5.76037 5.41357 7.59945 5.45684 5.65551 numMergedOcc 0
13 mol 64 unq 0 iso 1 dist 5.41357 5.76037 8.52643 5.65551 5.45684 7.59945 numMergedOcc 0
14 mol 64 unq 1 iso 0 dist 8.52643 5.76037 5.41357 13.3239 7.76644 9.81422 numMergedOcc 0
15 mol 64 unq 1 iso 1 dist 5.41357 5.76037 8.52643 9.81422 7.76644 13.3239 numMergedOcc 0
16 mol 64 unq 2 iso 0 dist 9.75299 5.76037 9.30042 7.59945 7.66372 5.65551 numMergedOcc 0
17 mol 64 unq 2 iso 1 dist 9.30042 5.76037 9.75299 5.65551 7.66372 7.59945 numMergedOcc 0
18 mol 64 unq 3 iso 0 dist 9.75299 5.76037 9.30042 13.3239 9.99743 9.81422 numMergedOcc 0
19 mol 64 unq 3 iso 1 dist 9.30042 5.76037 9.75299 9.81422 9.99743 13.3239 numMergedOcc 0
20 mol 67 unq 0 iso 0 dist 6.04303 5.55985 6.12267 6.72978 8.01856 6.39609 numMergedOcc 0
21 mol 67 unq 0 iso 1 dist 6.12267 5.55985 6.04303 6.39609 8.01856 6.72978 numMergedOcc 0
22 mol 67 unq 1 iso 0 dist 6.04303 10.6111 8.27009 6.72978 8.01856 6.22963 numMergedOcc 0
23 mol 67 unq 1 iso 1 dist 8.27009 10.6111 6.04303 6.22963 8.01856 6.72978 numMergedOcc 0
24 mol 67 unq 1 iso 0 dist 6.12267 6.9953 8.27009 6.39609 8.01856 6.22963 numMergedOcc 0
25 mol 67 unq 1 iso 1 dist 8.27009 6.9953 6.12267 6.22963 8.01856 6.39609 numMergedOcc 0
26 mol 67 unq 2 iso 0 dist 7.15248 5.55985 8.43162 12.8718 9.8048 9.08666 numMergedOcc 0
27 mol 67 unq 2 iso 1 dist 8.43162 5.55985 7.15248 9.08666 9.8048 12.8718 numMergedOcc 0
28 mol 76 unq 0 iso 0 dist 5.73235 10.0928 7.48127 10.2556 9.26231 8.90561 numMergedOcc 0
29 mol 76 unq 0 iso 1 dist 7.48127 10.0928 5.73235 8.90561 9.26231 10.2556 numMergedOcc 0
30 mol 131 unq 0 iso 0 dist 6.08846 7.88461 9.19171 9.13134 6.45169 9.57821 numMergedOcc 0
31 mol 131 unq 0 iso 1 dist 9.19171 7.88461 6.08846 9.57821 6.45169 9.13134 numMergedOcc 0
32 mol 140 unq 0 iso 0 dist 9.13339 8.73614 7.60956 5.90456 6.55217 5.00766 numMergedOcc 0
33 mol 140 unq 0 iso 1 dist 7.60956 8.73614 9.13339 5.00766 6.55217 5.90456 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 9.65031 11.2441 8.51844 12.1354 9.27341 6.67687 numMergedOcc 0
35 mol 152 unq 0 iso 1 dist 8.51844 11.2441 9.65031 6.67687 9.27341 12.1354 numMergedOcc 0
36 mol 165 unq 0 iso 0 dist 9.8755 11.6064 7.21397 7.00425 7.8052 6.27901 numMergedOcc 0
37 mol 165 unq 0 iso 1 dist 7.21397 11.6064 9.8755 6.27901 7.8052 7.00425 numMergedOcc 0
38 mol 165 unq 1 iso 0 dist 9.8755 8.38499 8.46714 7.00425 7.8052 9.20479 numMergedOcc 0
39 mol 165 unq 1 iso 1 dist 8.46714 8.38499 9.8755 9.20479 7.8052 7.00425 numMergedOcc 0
40 mol 165 unq 1 iso 0 dist 7.21397 8.33453 8.46714 6.27901 7.8052 9.20479 numMergedOcc 0
41 mol 165 unq 1 iso 1 dist 8.46714 8.33453 7.21397 9.20479 7.8052 6.27901 numMergedOcc 0
42 mol 212 unq 0 iso 0 dist 7.6819 5.4231 6.36102 6.95437 9.1732 9.01479 numMergedOcc 0
43 mol 212 unq 0 iso 1 dist 6.36102 5.4231 7.6819 9.01479 9.1732 6.95437 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 6.23677 5.49559 9.04741 8.8161 8.96263 9.46987 numMergedOcc 0
45 mol 224 unq 0 iso 1 dist 9.04741 5.49559 6.23677 9.46987 8.96263 8.8161 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 6.23677 5.92863 7.31608 8.8161 8.96263 3.92881 numMergedOcc 0
47 mol 224 unq 1 iso 1 dist 7.31608 5.92863 6.23677 3.92881 8.96263 8.8161 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 9.04741 5.57847 7.31608 9.46987 8.96263 3.92881 numMergedOcc 0
49 mol 224 unq 1 iso 1 dist 7.31608 5.57847 9.04741 3.92881 8.96263 9.46987 numMergedOcc 0
50 mol 224 unq 2 iso 0 dist 7.96226 10.9623 8.82663 3.92881 7.35677 11.6942 numMergedOcc 0
51 mol 224 unq 2 iso 1 dist 8.82663 10.9623 7.96226 11.6942 7.35677 3.92881 numMergedOcc 0
52 mol 239 unq 0 iso 0 dist 8.26312 7.99748 7.58554 13.8702 7.10828 8.46058 numMergedOcc 0
53 mol 239 unq 0 iso 1 dist 7.58554 7.99748 8.26312 8.46058 7.10828 13.8702 numMergedOcc 0
54 mol 243 unq 0 iso 0 dist 4.64178 10.9243 9.16988 7.70076 8.1195 16.6703 numMergedOcc 0
55 mol 243 unq 0 iso 1 dist 9.16988 10.9243 4.64178 16.6703 8.1195 7.70076 numMergedOcc 0
56 mol 250 unq 0 iso 0 dist 8.51703 6.53265 5.07895 11.6337 8.59384 5.95822 numMergedOcc 0
57 mol 250 unq 0 iso 1 dist 5.07895 6.53265 8.51703 5.95822 8.59384 11.6337 numMergedOcc 0
58 mol 258 unq 0 iso 0 dist 8.70193 7.64421 7.25618 7.88062 9.65711 5.79358 numMergedOcc 0
59 mol 258 unq 0 iso 1 dist 7.25618 7.64421 8.70193 5.79358 9.65711 7.88062 numMergedOcc 0
60 mol 261 unq 0 iso 0 dist 6.0437 4.70691 4.85199 6.8395 9.38192 5.03102 numMergedOcc 0
61 mol 261 unq 0 iso 1 dist 4.85199 4.70691 6.0437 5.03102 9.38192 6.8395 numMergedOcc 0
62 mol 261 unq 1 iso 0 dist 6.0437 4.70691 4.85199 6.29331 6.99444 6.40309 numMergedOcc 0
63 mol 261 unq 1 iso 1 dist 4.85199 4.70691 6.0437 6.40309 6.99444 6.29331 numMergedOcc 0
64 mol 261 unq 2 iso 0 dist 6.0437 9.51335 9.13604 6.8395 9.38192 9.37836 numMergedOcc 0
65 mol 261 unq 2 iso 1 dist 9.13604 9.51335 6.0437 9.37836 9.38192 6.8395 numMergedOcc 0
66 mol 261 unq 3 iso 0 dist 6.0437 9.51335 9.13604 6.29331 6.99444 5.91745 numMergedOcc 0
67 mol 261 unq 3 iso 1 dist 9.13604 9.51335 6.0437 5.91745 6.99444 6.29331 numMergedOcc 0
68 mol 261 unq 2 iso 0 dist 4.85199 6.43452 9.13604 5.03102 9.38192 9.37836 numMergedOcc 0
69 mol 261 unq 2 iso 1 dist 9.13604 6.43452 4.85199 9.37836 9.38192 5.03102 numMergedOcc 0
70 mol 261 unq 3 iso 0 dist 4.85199 6.43452 9.13604 6.40309 6.99444 5.91745 numMergedOcc 0
71 mol 261 unq 3 iso 1 dist 9.13604 6.43452 4.85199 5.91745 6.99444 6.40309 numMergedOcc 0
72 mol 282 unq 0 iso 0 dist 6.04225 4.79603 5.00258 6.0405 6.51248 6.38947 numMergedOcc 0
73 mol 282 unq 0 iso 1 dist 5.00258 4.79603 6.04225 6.38947 6.51248 6.0405 numMergedOcc 0
74 mol 282 unq 1 iso 0 dist 6.04225 9.24679 8.22117 6.0405 6.51248 5.98603 numMergedOcc 0
75 mol 282 unq 1 iso 1 dist 8.22117 9.24679 6.04225 5.98603 6.51248 6.0405 numMergedOcc 0
76 mol 282 unq 1 iso 0 dist 5.00258 5.92133 8.22117 6.38947 6.51248 5.98603 numMergedOcc 0
77 mol 282 unq 1 iso 1 dist 8.22117 5.92133 5.00258 5.98603 6.51248 6.38947 numMergedOcc 0
78 mol 294 unq 0 iso 0 dist 6.37998 8.23817 9.77023 9.503 8.46311 14.1763 numMergedOcc 0
79 mol 294 unq 0 iso 1 dist 9.77023 8.23817 6.37998 14.1763 8.46311 9.503 numMergedOcc 0
