0 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 15.5112 10.0952 8.86116 12.1911 5.69214 7.95042 5.11636 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.03754 13.1056 6.20293 12.7352 5.06502 5.73819 12.8366 5.41726 6.75943 4.96926 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 10.5813 6.45462 8.93915 12.8366 5.41726 6.75943 10.0383 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 9.47348 9.92508 8.93915 12.0317 5.89973 5.73819 15.6164 10.0383 6.75943 4.96926 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 9.47348 9.92508 8.93915 12.0919 6.45462 6.20293 15.6164 10.0383 6.75943 5.41726 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 8.21743 8.24309 9.96708 13.4016 9.78221 9.55118 5.69391 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 8.4143 13.7926 9.78528 8.21743 8.24309 9.96708 18.8579 11.6634 9.10345 13.4212 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 14.8693 15.7123 9.38498 12.8474 5.70116 9.73086 17.4121 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 10.5158 12.016 9.75218 12.8474 5.70116 9.73086 14.844 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 25.1398 16.6055 9.03572 22.8432 15.6249 8.27883 4.99174 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 9.64673 16.4832 8.03644 25.1398 16.6055 9.03572 21.3539 12.4896 5.75428 4.46005 numMergedOcc 0
11 mol 95 unq 2 iso 0 dist 9.64673 16.4832 8.03644 25.1398 16.6055 9.03572 23.6493 14.2178 8.57395 8.28518 numMergedOcc 0
12 mol 95 unq 3 iso 0 dist 9.64673 16.4832 8.03644 25.1398 16.6055 9.03572 17.3737 8.78079 9.85409 15.917 numMergedOcc 0
13 mol 95 unq 4 iso 0 dist 9.64673 16.4832 8.03644 22.565 13.8105 8.83255 22.8432 15.6249 8.27883 8.67311 numMergedOcc 0
14 mol 95 unq 5 iso 0 dist 9.64673 16.4832 8.03644 22.565 13.8105 8.83255 21.3539 12.4896 5.75428 3.94293 numMergedOcc 0
15 mol 95 unq 6 iso 0 dist 9.64673 16.4832 8.03644 22.565 13.8105 8.83255 23.6493 14.2178 8.57395 9.22202 numMergedOcc 0
16 mol 95 unq 7 iso 0 dist 9.64673 16.4832 8.03644 22.565 13.8105 8.83255 17.3737 8.78079 9.85409 13.7484 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 11.1764 5.88134 6.65086 11.7018 4.03277 8.91882 6.23008 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 14.2807 5.33144 6.45675 13.6554 5.9143 7.82475 5.43561 numMergedOcc 0
19 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 14.2807 5.33144 6.45675 11.5608 5.47563 5.35782 6.30222 numMergedOcc 0
20 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 15.6365 10.1407 8.86688 13.6554 5.9143 7.82475 5.25234 numMergedOcc 0
21 mol 100 unq 4 iso 0 dist 9.22737 12.9061 7.47343 15.6365 10.1407 8.86688 11.5608 5.47563 5.35782 5.03232 numMergedOcc 0
22 mol 100 unq 5 iso 0 dist 9.22737 6.60925 6.65086 12.7823 5.88134 9.60661 13.861 6.23008 8.91882 4.03277 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 12.4685 8.02349 6.11741 12.5457 6.63111 6.39384 6.07067 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 9.26923 10.8507 7.30858 7.84768 4.48636 7.69765 10.3209 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 9.26923 10.8507 7.30858 12.5457 6.63111 9.42082 15.3161 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 7.9258 4.75197 5.83991 12.4685 8.02349 7.88312 7.84768 4.48636 7.69765 11.835 numMergedOcc 0
27 mol 115 unq 4 iso 0 dist 7.9258 4.75197 5.83991 12.4685 8.02349 7.88312 12.5457 6.63111 9.42082 6.07067 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 8.97762 9.74121 6.29155 15.4305 7.81217 6.80239 11.716 13.0405 8.77023 13.7612 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 8.97762 9.74121 6.29155 16.5229 11.965 8.00618 11.716 13.0405 8.77023 15.0115 numMergedOcc 0
30 mol 133 unq 2 iso 0 dist 9.47554 9.67676 8.00618 15.8406 11.965 6.29155 10.3522 15.0115 8.77023 13.0405 numMergedOcc 0
31 mol 133 unq 3 iso 0 dist 9.47554 9.67676 8.00618 13.9771 7.79672 6.80239 10.3522 15.0115 8.77023 13.7612 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 15.1513 8.80819 8.94367 15.2447 12.3479 9.33094 7.41373 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 11.3169 5.00817 6.37586 15.2447 12.3479 9.33094 10.8635 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 9.16358 10.0911 8.94367 6.48328 5.49782 6.37586 14.33 7.41373 9.33094 10.8635 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 9.16358 10.0911 8.94367 11.0053 8.80819 6.49416 14.33 7.41373 9.33094 12.3479 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 9.16358 9.66197 9.86662 6.48328 5.49782 9.71307 17.7356 12.8086 9.1998 15.0225 numMergedOcc 0
37 mol 134 unq 5 iso 0 dist 9.16358 9.66197 9.86662 6.48328 5.49782 9.71307 14.33 7.41373 8.69531 10.8635 numMergedOcc 0
38 mol 134 unq 6 iso 0 dist 6.48328 10.0911 6.37586 9.16358 5.49782 8.94367 14.33 10.8635 9.33094 7.41373 numMergedOcc 0
39 mol 134 unq 7 iso 0 dist 6.48328 10.0911 6.37586 11.0053 5.00817 6.49416 14.33 10.8635 9.33094 12.3479 numMergedOcc 0
40 mol 134 unq 8 iso 0 dist 6.48328 9.66197 9.71307 9.16358 5.49782 9.86662 17.7356 15.0225 9.1998 12.8086 numMergedOcc 0
41 mol 134 unq 9 iso 0 dist 6.48328 9.66197 9.71307 9.16358 5.49782 9.86662 14.33 10.8635 8.69531 7.41373 numMergedOcc 0
42 mol 152 unq 0 iso 0 dist 8.41774 13.793 6.70283 13.7313 5.42328 5.87555 12.9285 5.39112 6.70693 4.94983 numMergedOcc 0
43 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 12.3711 6.4896 8.67331 12.9285 5.39112 6.70693 9.67475 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 11.1074 8.85576 7.63312 13.6955 6.8757 6.64173 10.6474 numMergedOcc 0
45 mol 181 unq 1 iso 0 dist 7.7544 10.8374 7.81386 11.1074 8.85576 7.63312 5.97971 5.71898 9.01624 5.93724 numMergedOcc 0
46 mol 181 unq 2 iso 0 dist 7.7544 10.8374 7.81386 11.1074 8.85576 7.63312 9.30874 5.83796 9.55105 5.12833 numMergedOcc 0
47 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 9.80543 7.38516 6.03031 10.4944 13.514 6.52816 9.49403 numMergedOcc 0
48 mol 205 unq 1 iso 0 dist 7.51951 5.04299 7.26832 12.4766 13.8543 7.80463 10.4944 13.514 6.52816 3.56269 numMergedOcc 0
49 mol 224 unq 0 iso 0 dist 8.80858 4.93626 6.60589 10.8126 5.0744 6.57273 10.0366 5.76843 8.79428 7.05804 numMergedOcc 0
50 mol 224 unq 1 iso 0 dist 8.80858 11.8641 9.16166 10.8126 5.0744 5.78342 10.0366 5.76843 6.8692 7.05804 numMergedOcc 0
51 mol 224 unq 2 iso 0 dist 8.80858 11.8641 9.16166 13.3427 6.91102 5.81334 10.0366 5.76843 6.8692 4.54188 numMergedOcc 0
52 mol 229 unq 0 iso 0 dist 8.83023 9.15968 7.03423 10.7513 5.57838 8.22528 14.0673 7.22525 7.27993 5.70473 numMergedOcc 0
53 mol 236 unq 0 iso 0 dist 6.61371 9.63949 7.68742 10.4172 5.79505 9.81562 11.3386 4.89609 9.3206 4.27181 numMergedOcc 0
54 mol 236 unq 1 iso 0 dist 6.61371 9.63949 7.68742 14.1598 11.3368 6.27581 11.3386 4.89609 9.3206 10.5774 numMergedOcc 0
55 mol 236 unq 2 iso 0 dist 5.90804 7.45579 6.27581 11.8908 9.90963 9.81562 10.2767 10.5774 9.3206 4.27181 numMergedOcc 0
56 mol 236 unq 3 iso 0 dist 5.90804 7.45579 6.27581 12.0498 11.3368 7.68742 10.2767 10.5774 9.3206 4.89609 numMergedOcc 0
57 mol 276 unq 0 iso 0 dist 8.15803 11.2406 9.8993 12.9942 6.88557 6.87396 13.3254 9.39944 8.6759 8.26321 numMergedOcc 0
