0 mol 7 unq 0 iso 0 dist 7.10621 7.31201 10.789 6.1206 7.12508 4.40641 7.67927 11.143 5.03278 4.80709 13.8829 8.72114 13.6379 11.2901 16.0449 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.10621 7.31201 10.789 7.67927 11.143 5.03278 6.1206 7.12508 4.40641 4.80709 13.8829 8.72114 13.6379 16.0449 11.2901 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.10621 9.36807 10.515 6.1206 7.12508 7.92429 7.67927 11.143 11.2233 4.80709 13.8829 8.72114 9.97624 11.2901 16.0449 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 7.10621 9.36807 10.515 7.67927 11.143 11.2233 6.1206 7.12508 7.92429 4.80709 13.8829 8.72114 9.97624 16.0449 11.2901 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 8.55451 8.69454 5.66192 5.8245 5.84314 3.91075 3.58336 9.5997 9.62394 9.57198 14.126 10.9352 numMergedOcc 0
5 mol 9 unq 0 iso 1 dist 8.57077 8.47421 5.60154 5.8245 5.84314 3.91075 8.55451 8.69454 5.66192 3.58336 9.5997 9.62394 9.57198 10.9352 14.126 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 5.05803 7.03948 6.2983 6.42835 5.01101 9.87867 6.57331 4.65873 4.68733 6.09368 5.30082 6.93532 11.7521 5.94982 10.0132 numMergedOcc 0
7 mol 16 unq 0 iso 1 dist 5.05803 7.03948 6.2983 6.57331 4.65873 4.68733 6.42835 5.01101 9.87867 6.09368 5.30082 6.93532 11.7521 10.0132 5.94982 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 8.01308 5.86526 9.47022 6.20884 5.49591 8.80614 9.11258 9.01564 7.11065 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 8.96727 9.87158 14.6599 6.20884 5.49591 8.80614 9.11258 7.11065 9.01564 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 9.10345 13.4212 5.63793 9.20237 11.6378 9.27838 13.1462 7.58875 14.0067 numMergedOcc 0
11 mol 72 unq 0 iso 1 dist 9.96708 7.321 9.0131 9.10345 13.4212 5.63793 9.55118 5.69391 6.74416 9.20237 11.6378 9.27838 13.1462 14.0067 7.58875 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 6.19304 4.65521 7.41074 8.68662 6.20232 6.10063 7.4369 5.70116 6.15714 3.30399 6.56633 9.24757 7.10439 8.96616 6.14542 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 6.19304 4.65521 7.41074 7.4369 5.70116 6.15714 8.68662 6.20232 6.10063 3.30399 6.56633 9.24757 7.10439 6.14542 8.96616 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 7.47343 8.72704 10.1589 7.82475 5.9143 12.5061 5.35782 5.47563 12.1093 3.5565 12.2861 8.30845 9.44658 13.9449 13.2383 numMergedOcc 0
15 mol 100 unq 0 iso 1 dist 7.47343 8.72704 10.1589 5.35782 5.47563 12.1093 7.82475 5.9143 12.5061 3.5565 12.2861 8.30845 9.44658 13.2383 13.9449 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 7.47343 8.72704 10.1589 7.82475 5.9143 12.5061 5.35782 5.47563 12.1093 3.5565 15.5385 8.76378 18.5425 10.8812 11.4348 numMergedOcc 0
17 mol 100 unq 1 iso 1 dist 7.47343 8.72704 10.1589 5.35782 5.47563 12.1093 7.82475 5.9143 12.5061 3.5565 15.5385 8.76378 18.5425 11.4348 10.8812 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 6.37586 5.42582 5.41704 9.33924 6.95573 6.0991 7.93372 8.06642 5.67107 11.4107 5.29786 6.23142 8.73604 12.2587 9.0176 numMergedOcc 0
19 mol 134 unq 0 iso 1 dist 6.37586 5.42582 5.41704 7.93372 8.06642 5.67107 9.33924 6.95573 6.0991 11.4107 5.29786 6.23142 8.73604 9.0176 12.2587 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.71307 5.42582 6.17103 9.33924 10.2026 6.0991 7.93372 4.00092 5.67107 11.4107 5.29786 9.94764 8.73604 12.2587 9.0176 numMergedOcc 0
21 mol 134 unq 1 iso 1 dist 9.71307 5.42582 6.17103 7.93372 4.00092 5.67107 9.33924 10.2026 6.0991 11.4107 5.29786 9.94764 8.73604 9.0176 12.2587 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 7.81386 7.98142 9.53462 6.64173 6.8757 4.48306 9.01624 5.71898 12.2513 11.196 7.20191 9.39829 13.5221 12.6232 5.99437 numMergedOcc 0
23 mol 181 unq 0 iso 1 dist 7.81386 7.98142 9.53462 9.01624 5.71898 12.2513 6.64173 6.8757 4.48306 11.196 7.20191 9.39829 13.5221 5.99437 12.6232 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 7.81386 7.98142 9.53462 6.64173 6.8757 4.48306 9.55105 5.83796 10.2172 10.1041 7.20191 9.39829 13.5221 12.6232 8.4848 numMergedOcc 0
25 mol 181 unq 1 iso 1 dist 7.81386 7.98142 9.53462 9.55105 5.83796 10.2172 6.64173 6.8757 4.48306 10.1041 7.20191 9.39829 13.5221 8.4848 12.6232 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 7.81386 7.98142 9.53462 9.01624 5.71898 12.2513 9.55105 5.83796 10.2172 3.55187 7.20191 9.39829 13.5221 5.99437 8.4848 numMergedOcc 0
27 mol 181 unq 1 iso 1 dist 7.81386 7.98142 9.53462 9.55105 5.83796 10.2172 9.01624 5.71898 12.2513 3.55187 7.20191 9.39829 13.5221 8.4848 5.99437 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 7.81386 7.37327 11.1462 6.64173 6.8757 4.88823 9.01624 5.71898 14.8923 11.196 7.20191 9.39829 14.5372 12.6232 5.99437 numMergedOcc 0
29 mol 181 unq 2 iso 1 dist 7.81386 7.37327 11.1462 9.01624 5.71898 14.8923 6.64173 6.8757 4.88823 11.196 7.20191 9.39829 14.5372 5.99437 12.6232 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 7.81386 7.37327 11.1462 6.64173 6.8757 4.88823 9.55105 5.83796 14.2334 10.1041 7.20191 9.39829 14.5372 12.6232 8.4848 numMergedOcc 0
31 mol 181 unq 3 iso 1 dist 7.81386 7.37327 11.1462 9.55105 5.83796 14.2334 6.64173 6.8757 4.88823 10.1041 7.20191 9.39829 14.5372 8.4848 12.6232 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 7.81386 7.37327 11.1462 9.01624 5.71898 14.8923 9.55105 5.83796 14.2334 3.55187 7.20191 9.39829 14.5372 5.99437 8.4848 numMergedOcc 0
33 mol 181 unq 3 iso 1 dist 7.81386 7.37327 11.1462 9.55105 5.83796 14.2334 9.01624 5.71898 14.8923 3.55187 7.20191 9.39829 14.5372 8.4848 5.99437 numMergedOcc 0
34 mol 181 unq 4 iso 0 dist 7.63312 7.98142 9.60512 6.64173 10.6474 4.48306 9.01624 5.93724 12.2513 11.196 5.63555 5.9176 5.97685 8.12266 10.5303 numMergedOcc 0
35 mol 181 unq 4 iso 1 dist 7.63312 7.98142 9.60512 9.01624 5.93724 12.2513 6.64173 10.6474 4.48306 11.196 5.63555 5.9176 5.97685 10.5303 8.12266 numMergedOcc 0
36 mol 181 unq 5 iso 0 dist 7.63312 7.98142 9.60512 6.64173 10.6474 4.48306 9.01624 5.93724 12.2513 11.196 7.20191 6.41453 13.5221 12.6232 5.99437 numMergedOcc 0
37 mol 181 unq 5 iso 1 dist 7.63312 7.98142 9.60512 9.01624 5.93724 12.2513 6.64173 10.6474 4.48306 11.196 7.20191 6.41453 13.5221 5.99437 12.6232 numMergedOcc 0
38 mol 181 unq 6 iso 0 dist 7.63312 7.98142 9.60512 6.64173 10.6474 4.48306 9.55105 5.12833 10.2172 10.1041 5.63555 5.9176 5.97685 8.12266 9.43306 numMergedOcc 0
39 mol 181 unq 6 iso 1 dist 7.63312 7.98142 9.60512 9.55105 5.12833 10.2172 6.64173 10.6474 4.48306 10.1041 5.63555 5.9176 5.97685 9.43306 8.12266 numMergedOcc 0
40 mol 181 unq 7 iso 0 dist 7.63312 7.98142 9.60512 6.64173 10.6474 4.48306 9.55105 5.12833 10.2172 10.1041 7.20191 6.41453 13.5221 12.6232 8.4848 numMergedOcc 0
41 mol 181 unq 7 iso 1 dist 7.63312 7.98142 9.60512 9.55105 5.12833 10.2172 6.64173 10.6474 4.48306 10.1041 7.20191 6.41453 13.5221 8.4848 12.6232 numMergedOcc 0
42 mol 181 unq 6 iso 0 dist 7.63312 7.98142 9.60512 9.01624 5.93724 12.2513 9.55105 5.12833 10.2172 3.55187 5.63555 5.9176 5.97685 10.5303 9.43306 numMergedOcc 0
43 mol 181 unq 6 iso 1 dist 7.63312 7.98142 9.60512 9.55105 5.12833 10.2172 9.01624 5.93724 12.2513 3.55187 5.63555 5.9176 5.97685 9.43306 10.5303 numMergedOcc 0
44 mol 181 unq 7 iso 0 dist 7.63312 7.98142 9.60512 9.01624 5.93724 12.2513 9.55105 5.12833 10.2172 3.55187 7.20191 6.41453 13.5221 5.99437 8.4848 numMergedOcc 0
45 mol 181 unq 7 iso 1 dist 7.63312 7.98142 9.60512 9.55105 5.12833 10.2172 9.01624 5.93724 12.2513 3.55187 7.20191 6.41453 13.5221 8.4848 5.99437 numMergedOcc 0
46 mol 181 unq 8 iso 0 dist 7.63312 7.37327 13.3389 6.64173 10.6474 4.88823 9.01624 5.93724 14.8923 11.196 5.63555 5.9176 8.9289 8.12266 10.5303 numMergedOcc 0
47 mol 181 unq 8 iso 1 dist 7.63312 7.37327 13.3389 9.01624 5.93724 14.8923 6.64173 10.6474 4.88823 11.196 5.63555 5.9176 8.9289 10.5303 8.12266 numMergedOcc 0
48 mol 181 unq 9 iso 0 dist 7.63312 7.37327 13.3389 6.64173 10.6474 4.88823 9.01624 5.93724 14.8923 11.196 7.20191 6.41453 14.5372 12.6232 5.99437 numMergedOcc 0
49 mol 181 unq 9 iso 1 dist 7.63312 7.37327 13.3389 9.01624 5.93724 14.8923 6.64173 10.6474 4.88823 11.196 7.20191 6.41453 14.5372 5.99437 12.6232 numMergedOcc 0
50 mol 181 unq 10 iso 0 dist 7.63312 7.37327 13.3389 6.64173 10.6474 4.88823 9.55105 5.12833 14.2334 10.1041 5.63555 5.9176 8.9289 8.12266 9.43306 numMergedOcc 0
51 mol 181 unq 10 iso 1 dist 7.63312 7.37327 13.3389 9.55105 5.12833 14.2334 6.64173 10.6474 4.88823 10.1041 5.63555 5.9176 8.9289 9.43306 8.12266 numMergedOcc 0
52 mol 181 unq 11 iso 0 dist 7.63312 7.37327 13.3389 6.64173 10.6474 4.88823 9.55105 5.12833 14.2334 10.1041 7.20191 6.41453 14.5372 12.6232 8.4848 numMergedOcc 0
53 mol 181 unq 11 iso 1 dist 7.63312 7.37327 13.3389 9.55105 5.12833 14.2334 6.64173 10.6474 4.88823 10.1041 7.20191 6.41453 14.5372 8.4848 12.6232 numMergedOcc 0
54 mol 181 unq 10 iso 0 dist 7.63312 7.37327 13.3389 9.01624 5.93724 14.8923 9.55105 5.12833 14.2334 3.55187 5.63555 5.9176 8.9289 10.5303 9.43306 numMergedOcc 0
55 mol 181 unq 10 iso 1 dist 7.63312 7.37327 13.3389 9.55105 5.12833 14.2334 9.01624 5.93724 14.8923 3.55187 5.63555 5.9176 8.9289 9.43306 10.5303 numMergedOcc 0
56 mol 181 unq 11 iso 0 dist 7.63312 7.37327 13.3389 9.01624 5.93724 14.8923 9.55105 5.12833 14.2334 3.55187 7.20191 6.41453 14.5372 5.99437 8.4848 numMergedOcc 0
57 mol 181 unq 11 iso 1 dist 7.63312 7.37327 13.3389 9.55105 5.12833 14.2334 9.01624 5.93724 14.8923 3.55187 7.20191 6.41453 14.5372 8.4848 5.99437 numMergedOcc 0
58 mol 192 unq 0 iso 0 dist 5.59424 8.36822 5.71262 9.78634 9.53265 10.3099 5.64942 6.35474 10.1087 5.9655 8.49529 8.77999 7.33225 15.7529 13.3256 numMergedOcc 0
59 mol 192 unq 0 iso 1 dist 5.59424 8.36822 5.71262 5.64942 6.35474 10.1087 9.78634 9.53265 10.3099 5.9655 8.49529 8.77999 7.33225 13.3256 15.7529 numMergedOcc 0
60 mol 192 unq 1 iso 0 dist 5.59424 8.36822 5.71262 9.78634 9.53265 10.3099 7.43054 5.25965 10.0566 7.70298 8.49529 8.77999 7.33225 15.7529 13.7172 numMergedOcc 0
61 mol 192 unq 1 iso 1 dist 5.59424 8.36822 5.71262 7.43054 5.25965 10.0566 9.78634 9.53265 10.3099 7.70298 8.49529 8.77999 7.33225 13.7172 15.7529 numMergedOcc 0
62 mol 192 unq 1 iso 0 dist 5.59424 8.36822 5.71262 5.64942 6.35474 10.1087 7.43054 5.25965 10.0566 3.60331 8.49529 8.77999 7.33225 13.3256 13.7172 numMergedOcc 0
63 mol 192 unq 1 iso 1 dist 5.59424 8.36822 5.71262 7.43054 5.25965 10.0566 5.64942 6.35474 10.1087 3.60331 8.49529 8.77999 7.33225 13.7172 13.3256 numMergedOcc 0
64 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 9.63573 7.20604 9.98303 7.66153 8.8603 14.0829 10.3051 8.81835 7.98231 8.71497 11.547 14.6679 numMergedOcc 0
65 mol 259 unq 0 iso 1 dist 7.88519 7.48005 11.6195 7.66153 8.8603 14.0829 9.63573 7.20604 9.98303 10.3051 8.81835 7.98231 8.71497 14.6679 11.547 numMergedOcc 0
66 mol 259 unq 1 iso 0 dist 7.46176 7.48005 5.79468 9.63573 5.21606 9.98303 7.66153 11.8896 14.0829 10.3051 8.81835 7.08526 8.71497 11.547 14.6679 numMergedOcc 0
67 mol 259 unq 1 iso 1 dist 7.46176 7.48005 5.79468 7.66153 11.8896 14.0829 9.63573 5.21606 9.98303 10.3051 8.81835 7.08526 8.71497 14.6679 11.547 numMergedOcc 0
