0 mol 4 unq 0 iso 0 dist 9.4539 6.47964 13.2947 6.97734 3.9877 12.1304 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 6.47964 9.4539 13.2947 6.97734 12.1304 3.9877 numMergedOcc 0
2 mol 4 unq 1 iso 0 dist 9.4539 9.50144 17.7473 6.97734 3.9877 15.8209 numMergedOcc 0
3 mol 4 unq 1 iso 1 dist 9.50144 9.4539 17.7473 6.97734 15.8209 3.9877 numMergedOcc 0
4 mol 4 unq 1 iso 0 dist 6.47964 9.50144 5.15137 6.97734 12.1304 15.8209 numMergedOcc 0
5 mol 4 unq 1 iso 1 dist 9.50144 6.47964 5.15137 6.97734 15.8209 12.1304 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 8.01055 8.61976 4.35219 4.75533 7.48843 9.95911 numMergedOcc 0
7 mol 9 unq 0 iso 1 dist 8.61976 8.01055 4.35219 4.75533 9.95911 7.48843 numMergedOcc 0
8 mol 9 unq 1 iso 0 dist 8.01055 8.61976 4.35219 5.85081 4.07023 7.19188 numMergedOcc 0
9 mol 9 unq 1 iso 1 dist 8.61976 8.01055 4.35219 5.85081 7.19188 4.07023 numMergedOcc 0
10 mol 33 unq 0 iso 0 dist 8.04019 7.44828 14.7604 6.53195 7.85245 11.1555 numMergedOcc 0
11 mol 33 unq 0 iso 1 dist 7.44828 8.04019 14.7604 6.53195 11.1555 7.85245 numMergedOcc 0
12 mol 48 unq 0 iso 0 dist 9.40644 5.35252 5.43494 7.99434 3.85292 6.44604 numMergedOcc 0
13 mol 48 unq 0 iso 1 dist 5.35252 9.40644 5.43494 7.99434 6.44604 3.85292 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 6.53824 6.61973 4.48374 9.12145 4.82514 8.63935 numMergedOcc 0
15 mol 116 unq 0 iso 1 dist 6.61973 6.53824 4.48374 9.12145 8.63935 4.82514 numMergedOcc 0
16 mol 116 unq 1 iso 0 dist 6.53824 6.61973 4.48374 8.11048 5.7646 4.10222 numMergedOcc 0
17 mol 116 unq 1 iso 1 dist 6.61973 6.53824 4.48374 8.11048 4.10222 5.7646 numMergedOcc 0
18 mol 174 unq 0 iso 0 dist 7.27146 6.25798 8.45124 8.46317 5.30081 5.41946 numMergedOcc 0
19 mol 174 unq 0 iso 1 dist 6.25798 7.27146 8.45124 8.46317 5.41946 5.30081 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 6.72718 8.72949 10.4327 9.12589 9.57585 3.91982 numMergedOcc 0
21 mol 186 unq 0 iso 1 dist 8.72949 6.72718 10.4327 9.12589 3.91982 9.57585 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 7.36571 9.80122 11.1205 5.03588 3.9335 10.9472 numMergedOcc 0
23 mol 192 unq 0 iso 1 dist 9.80122 7.36571 11.1205 5.03588 10.9472 3.9335 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 7.36571 9.17137 8.74203 5.03588 3.9335 10.6087 numMergedOcc 0
25 mol 192 unq 1 iso 1 dist 9.17137 7.36571 8.74203 5.03588 10.6087 3.9335 numMergedOcc 0
26 mol 192 unq 1 iso 0 dist 9.80122 9.17137 8.95038 5.03588 10.9472 10.6087 numMergedOcc 0
27 mol 192 unq 1 iso 1 dist 9.17137 9.80122 8.95038 5.03588 10.6087 10.9472 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 6.20044 8.41232 6.2357 8.77524 6.42785 7.66776 numMergedOcc 0
29 mol 204 unq 0 iso 1 dist 8.41232 6.20044 6.2357 8.77524 7.66776 6.42785 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 4.81837 6.43519 9.98031 8.83628 9.70513 6.82382 numMergedOcc 0
31 mol 205 unq 0 iso 1 dist 6.43519 4.81837 9.98031 8.83628 6.82382 9.70513 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 5.86911 7.89258 5.68826 9.46274 14.085 12.4498 numMergedOcc 0
33 mol 214 unq 0 iso 1 dist 7.89258 5.86911 5.68826 9.46274 12.4498 14.085 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 7.11741 8.8113 6.8368 6.06793 3.40786 5.77577 numMergedOcc 0
35 mol 224 unq 0 iso 1 dist 8.8113 7.11741 6.8368 6.06793 5.77577 3.40786 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 9.01071 8.86185 15.9311 7.24545 7.17772 13.8399 numMergedOcc 0
37 mol 239 unq 0 iso 1 dist 8.86185 9.01071 15.9311 7.24545 13.8399 7.17772 numMergedOcc 0
38 mol 244 unq 0 iso 0 dist 7.43391 7.79787 12.5222 9.3491 9.14405 6.88123 numMergedOcc 0
39 mol 244 unq 0 iso 1 dist 7.79787 7.43391 12.5222 9.3491 6.88123 9.14405 numMergedOcc 0
40 mol 249 unq 0 iso 0 dist 3.67935 8.00386 6.79958 6.62413 4.49386 5.33399 numMergedOcc 0
41 mol 249 unq 0 iso 1 dist 8.00386 3.67935 6.79958 6.62413 5.33399 4.49386 numMergedOcc 0
42 mol 258 unq 0 iso 0 dist 9.48772 5.53369 9.10334 9.48672 4.65265 9.41237 numMergedOcc 0
43 mol 258 unq 0 iso 1 dist 5.53369 9.48772 9.10334 9.48672 9.41237 4.65265 numMergedOcc 0
44 mol 258 unq 1 iso 0 dist 9.48772 8.57274 10.4538 9.48672 4.65265 13.3588 numMergedOcc 0
45 mol 258 unq 1 iso 1 dist 8.57274 9.48772 10.4538 9.48672 13.3588 4.65265 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 5.53369 8.57274 6.94631 9.48672 9.41237 13.3588 numMergedOcc 0
47 mol 258 unq 1 iso 1 dist 8.57274 5.53369 6.94631 9.48672 13.3588 9.41237 numMergedOcc 0
48 mol 266 unq 0 iso 0 dist 9.0836 9.62494 5.40028 6.48382 7.63149 4.39553 numMergedOcc 0
49 mol 266 unq 0 iso 1 dist 9.62494 9.0836 5.40028 6.48382 4.39553 7.63149 numMergedOcc 0
50 mol 273 unq 0 iso 0 dist 5.78262 7.6489 8.60201 8.13393 8.94124 7.92723 numMergedOcc 0
51 mol 273 unq 0 iso 1 dist 7.6489 5.78262 8.60201 8.13393 7.92723 8.94124 numMergedOcc 0
52 mol 285 unq 0 iso 0 dist 7.872 6.32984 8.70014 7.08681 11.2722 3.57803 numMergedOcc 0
53 mol 285 unq 0 iso 1 dist 6.32984 7.872 8.70014 7.08681 3.57803 11.2722 numMergedOcc 0
54 mol 285 unq 1 iso 0 dist 7.872 6.32984 8.70014 4.95596 9.22192 11.1099 numMergedOcc 0
55 mol 285 unq 1 iso 1 dist 6.32984 7.872 8.70014 4.95596 11.1099 9.22192 numMergedOcc 0
56 mol 285 unq 2 iso 0 dist 7.872 6.32984 8.70014 6.3508 8.37376 11.5761 numMergedOcc 0
57 mol 285 unq 2 iso 1 dist 6.32984 7.872 8.70014 6.3508 11.5761 8.37376 numMergedOcc 0
58 mol 285 unq 3 iso 0 dist 7.872 6.32984 8.70014 8.3005 6.76283 11.5053 numMergedOcc 0
59 mol 285 unq 3 iso 1 dist 6.32984 7.872 8.70014 8.3005 11.5053 6.76283 numMergedOcc 0
60 mol 287 unq 0 iso 0 dist 8.40726 5.15923 7.06161 9.77996 4.80377 8.69518 numMergedOcc 0
61 mol 287 unq 0 iso 1 dist 5.15923 8.40726 7.06161 9.77996 8.69518 4.80377 numMergedOcc 0
62 mol 287 unq 1 iso 0 dist 8.40726 5.15923 7.06161 6.61308 3.91371 4.11753 numMergedOcc 0
63 mol 287 unq 1 iso 1 dist 5.15923 8.40726 7.06161 6.61308 4.11753 3.91371 numMergedOcc 0
64 mol 287 unq 2 iso 0 dist 8.40726 5.15923 7.06161 6.25845 8.01657 4.00861 numMergedOcc 0
65 mol 287 unq 2 iso 1 dist 5.15923 8.40726 7.06161 6.25845 4.00861 8.01657 numMergedOcc 0
66 mol 287 unq 3 iso 0 dist 6.96774 7.14859 7.11169 9.31611 5.03775 8.95194 numMergedOcc 0
67 mol 287 unq 3 iso 1 dist 7.14859 6.96774 7.11169 9.31611 8.95194 5.03775 numMergedOcc 0
68 mol 288 unq 0 iso 0 dist 8.40726 5.15923 7.06161 9.77996 4.80377 8.69518 numMergedOcc 0
69 mol 288 unq 0 iso 1 dist 5.15923 8.40726 7.06161 9.77996 8.69518 4.80377 numMergedOcc 0
70 mol 288 unq 1 iso 0 dist 8.40726 5.15923 7.06161 6.61308 3.91371 4.11753 numMergedOcc 0
71 mol 288 unq 1 iso 1 dist 5.15923 8.40726 7.06161 6.61308 4.11753 3.91371 numMergedOcc 0
72 mol 288 unq 2 iso 0 dist 8.40726 5.15923 7.06161 6.25845 8.01657 4.00861 numMergedOcc 0
73 mol 288 unq 2 iso 1 dist 5.15923 8.40726 7.06161 6.25845 4.00861 8.01657 numMergedOcc 0
74 mol 288 unq 3 iso 0 dist 6.96774 7.14859 7.11169 9.31611 5.03775 8.95194 numMergedOcc 0
75 mol 288 unq 3 iso 1 dist 7.14859 6.96774 7.11169 9.31611 8.95194 5.03775 numMergedOcc 0
76 mol 289 unq 0 iso 0 dist 8.40726 5.15923 7.06161 9.77996 4.80377 8.69518 numMergedOcc 0
77 mol 289 unq 0 iso 1 dist 5.15923 8.40726 7.06161 9.77996 8.69518 4.80377 numMergedOcc 0
78 mol 289 unq 1 iso 0 dist 8.40726 5.15923 7.06161 6.61308 3.91371 4.11753 numMergedOcc 0
79 mol 289 unq 1 iso 1 dist 5.15923 8.40726 7.06161 6.61308 4.11753 3.91371 numMergedOcc 0
80 mol 289 unq 2 iso 0 dist 8.40726 5.15923 7.06161 6.25845 8.01657 4.00861 numMergedOcc 0
81 mol 289 unq 2 iso 1 dist 5.15923 8.40726 7.06161 6.25845 4.00861 8.01657 numMergedOcc 0
82 mol 289 unq 3 iso 0 dist 6.96774 7.14859 7.11169 9.31611 5.03775 8.95194 numMergedOcc 0
83 mol 289 unq 3 iso 1 dist 7.14859 6.96774 7.11169 9.31611 8.95194 5.03775 numMergedOcc 0
