0 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 7.95042 5.69214 5.11636 10.0453 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 7.95042 5.11636 5.69214 10.0453 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 8.09311 11.6226 6.17155 15.4445 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 8.38394 8.86116 6.44287 8.60554 12.3994 8.52463 8.09311 6.17155 11.6226 15.4445 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 9.05357 13.1949 10.3122 11.8971 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 8.38394 8.86116 6.44287 8.60554 12.3994 8.52463 9.05357 10.3122 13.1949 11.8971 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.86116 8.38394 6.44287 8.44664 10.971 5.30734 8.09311 11.6226 6.17155 3.84336 numMergedOcc 0
7 mol 24 unq 3 iso 1 dist 8.38394 8.86116 6.44287 8.44664 5.30734 10.971 8.09311 6.17155 11.6226 3.84336 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 8.86116 8.38394 6.44287 8.44664 10.971 5.30734 9.05357 13.1949 10.3122 7.01276 numMergedOcc 0
9 mol 24 unq 4 iso 1 dist 8.38394 8.86116 6.44287 8.44664 5.30734 10.971 9.05357 10.3122 13.1949 7.01276 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.86116 8.38394 6.44287 9.44691 13.4893 12.505 8.09311 11.6226 6.17155 13.0295 numMergedOcc 0
11 mol 24 unq 5 iso 1 dist 8.38394 8.86116 6.44287 9.44691 12.505 13.4893 8.09311 6.17155 11.6226 13.0295 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 8.86116 8.38394 6.44287 9.44691 13.4893 12.505 9.05357 13.1949 10.3122 4.02219 numMergedOcc 0
13 mol 24 unq 6 iso 1 dist 8.38394 8.86116 6.44287 9.44691 12.505 13.4893 9.05357 10.3122 13.1949 4.02219 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.16347 9.34396 10.8498 4.79873 10.2864 11.4148 5.46578 numMergedOcc 0
15 mol 25 unq 0 iso 1 dist 7.17969 7.57578 4.33106 6.16347 10.8498 9.34396 4.79873 11.4148 10.2864 5.46578 numMergedOcc 0
16 mol 25 unq 1 iso 0 dist 7.57578 7.17969 4.33106 6.16347 9.34396 10.8498 9.48085 5.18617 5.68041 9.62058 numMergedOcc 0
17 mol 25 unq 1 iso 1 dist 7.17969 7.57578 4.33106 6.16347 10.8498 9.34396 9.48085 5.68041 5.18617 9.62058 numMergedOcc 0
18 mol 25 unq 2 iso 0 dist 7.57578 7.17969 4.33106 7.92503 6.11127 5.30154 4.79873 10.2864 11.4148 11.0175 numMergedOcc 0
19 mol 25 unq 2 iso 1 dist 7.17969 7.57578 4.33106 7.92503 5.30154 6.11127 4.79873 11.4148 10.2864 11.0175 numMergedOcc 0
20 mol 25 unq 3 iso 0 dist 7.57578 7.17969 4.33106 7.92503 6.11127 5.30154 9.48085 5.18617 5.68041 10.2758 numMergedOcc 0
21 mol 25 unq 3 iso 1 dist 7.17969 7.57578 4.33106 7.92503 5.30154 6.11127 9.48085 5.68041 5.18617 10.2758 numMergedOcc 0
22 mol 25 unq 4 iso 0 dist 7.31767 6.03987 4.51512 8.6653 5.64303 5.82503 7.6114 6.10919 5.86705 10.8122 numMergedOcc 0
23 mol 25 unq 4 iso 1 dist 6.03987 7.31767 4.51512 8.6653 5.82503 5.64303 7.6114 5.86705 6.10919 10.8122 numMergedOcc 0
24 mol 59 unq 0 iso 0 dist 7.17396 9.21998 6.05545 8.08618 6.90592 7.6021 6.56212 7.31539 11.1607 5.56986 numMergedOcc 0
25 mol 59 unq 0 iso 1 dist 9.21998 7.17396 6.05545 8.08618 7.6021 6.90592 6.56212 11.1607 7.31539 5.56986 numMergedOcc 0
26 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 9.27838 15.434 11.6378 7.12321 4.27726 7.47371 14.005 numMergedOcc 0
27 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 7.12321 7.47371 4.27726 14.005 numMergedOcc 0
28 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.54568 10.2865 8.09967 7.7068 6.36397 4.41789 4.93735 numMergedOcc 0
29 mol 85 unq 0 iso 1 dist 6.19965 7.95579 4.26409 7.54568 8.09967 10.2865 7.7068 4.41789 6.36397 4.93735 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 7.54568 10.2865 4.65335 7.7068 6.36397 5.59906 4.93735 numMergedOcc 0
31 mol 85 unq 1 iso 1 dist 7.66905 7.95579 10.7229 7.54568 4.65335 10.2865 7.7068 5.59906 6.36397 4.93735 numMergedOcc 0
32 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 7.54568 8.09967 4.65335 7.7068 4.41789 5.59906 4.93735 numMergedOcc 0
33 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.54568 4.65335 8.09967 7.7068 5.59906 4.41789 4.93735 numMergedOcc 0
34 mol 95 unq 0 iso 0 dist 9.03572 8.83255 6.59319 9.49454 13.3662 12.0666 8.27883 4.99174 8.67311 15.7954 numMergedOcc 0
35 mol 95 unq 0 iso 1 dist 8.83255 9.03572 6.59319 9.49454 12.0666 13.3662 8.27883 8.67311 4.99174 15.7954 numMergedOcc 0
36 mol 95 unq 1 iso 0 dist 9.03572 8.83255 6.59319 9.49454 13.3662 12.0666 5.75428 4.46005 3.94293 10.4348 numMergedOcc 0
37 mol 95 unq 1 iso 1 dist 8.83255 9.03572 6.59319 9.49454 12.0666 13.3662 5.75428 3.94293 4.46005 10.4348 numMergedOcc 0
38 mol 95 unq 2 iso 0 dist 9.03572 8.83255 6.59319 9.49454 13.3662 12.0666 8.57395 8.28518 9.22202 5.88327 numMergedOcc 0
39 mol 95 unq 2 iso 1 dist 8.83255 9.03572 6.59319 9.49454 12.0666 13.3662 8.57395 9.22202 8.28518 5.88327 numMergedOcc 0
40 mol 95 unq 3 iso 0 dist 9.03572 8.83255 6.59319 9.49454 13.3662 12.0666 9.85409 15.917 13.7484 3.96826 numMergedOcc 0
41 mol 95 unq 3 iso 1 dist 8.83255 9.03572 6.59319 9.49454 12.0666 13.3662 9.85409 13.7484 15.917 3.96826 numMergedOcc 0
42 mol 95 unq 4 iso 0 dist 9.03572 8.03644 16.6055 9.49454 13.3662 11.4333 8.27883 4.99174 15.6249 15.7954 numMergedOcc 0
43 mol 95 unq 4 iso 1 dist 8.03644 9.03572 16.6055 9.49454 11.4333 13.3662 8.27883 15.6249 4.99174 15.7954 numMergedOcc 0
44 mol 95 unq 5 iso 0 dist 9.03572 8.03644 16.6055 9.49454 13.3662 11.4333 5.75428 4.46005 12.4896 10.4348 numMergedOcc 0
45 mol 95 unq 5 iso 1 dist 8.03644 9.03572 16.6055 9.49454 11.4333 13.3662 5.75428 12.4896 4.46005 10.4348 numMergedOcc 0
46 mol 95 unq 6 iso 0 dist 9.03572 8.03644 16.6055 9.49454 13.3662 11.4333 8.57395 8.28518 14.2178 5.88327 numMergedOcc 0
47 mol 95 unq 6 iso 1 dist 8.03644 9.03572 16.6055 9.49454 11.4333 13.3662 8.57395 14.2178 8.28518 5.88327 numMergedOcc 0
48 mol 95 unq 7 iso 0 dist 9.03572 8.03644 16.6055 9.49454 13.3662 11.4333 9.85409 15.917 8.78079 3.96826 numMergedOcc 0
49 mol 95 unq 7 iso 1 dist 8.03644 9.03572 16.6055 9.49454 11.4333 13.3662 9.85409 8.78079 15.917 3.96826 numMergedOcc 0
50 mol 95 unq 4 iso 0 dist 8.83255 8.03644 13.8105 9.49454 12.0666 11.4333 8.27883 8.67311 15.6249 15.7954 numMergedOcc 0
51 mol 95 unq 4 iso 1 dist 8.03644 8.83255 13.8105 9.49454 11.4333 12.0666 8.27883 15.6249 8.67311 15.7954 numMergedOcc 0
52 mol 95 unq 5 iso 0 dist 8.83255 8.03644 13.8105 9.49454 12.0666 11.4333 5.75428 3.94293 12.4896 10.4348 numMergedOcc 0
53 mol 95 unq 5 iso 1 dist 8.03644 8.83255 13.8105 9.49454 11.4333 12.0666 5.75428 12.4896 3.94293 10.4348 numMergedOcc 0
54 mol 95 unq 6 iso 0 dist 8.83255 8.03644 13.8105 9.49454 12.0666 11.4333 8.57395 9.22202 14.2178 5.88327 numMergedOcc 0
55 mol 95 unq 6 iso 1 dist 8.03644 8.83255 13.8105 9.49454 11.4333 12.0666 8.57395 14.2178 9.22202 5.88327 numMergedOcc 0
56 mol 95 unq 7 iso 0 dist 8.83255 8.03644 13.8105 9.49454 12.0666 11.4333 9.85409 13.7484 8.78079 3.96826 numMergedOcc 0
57 mol 95 unq 7 iso 1 dist 8.03644 8.83255 13.8105 9.49454 11.4333 12.0666 9.85409 8.78079 13.7484 3.96826 numMergedOcc 0
58 mol 100 unq 0 iso 0 dist 6.45675 7.47343 5.33144 7.38135 7.11701 11.2312 7.82475 5.43561 5.9143 7.55779 numMergedOcc 0
59 mol 100 unq 0 iso 1 dist 7.47343 6.45675 5.33144 7.38135 11.2312 7.11701 7.82475 5.9143 5.43561 7.55779 numMergedOcc 0
60 mol 100 unq 1 iso 0 dist 6.45675 7.47343 5.33144 7.38135 7.11701 11.2312 5.35782 6.30222 5.47563 8.00947 numMergedOcc 0
61 mol 100 unq 1 iso 1 dist 7.47343 6.45675 5.33144 7.38135 11.2312 7.11701 5.35782 5.47563 6.30222 8.00947 numMergedOcc 0
62 mol 100 unq 2 iso 0 dist 6.45675 8.86688 9.71151 7.38135 7.11701 7.79768 7.82475 5.43561 5.25234 7.55779 numMergedOcc 0
63 mol 100 unq 2 iso 1 dist 8.86688 6.45675 9.71151 7.38135 7.79768 7.11701 7.82475 5.25234 5.43561 7.55779 numMergedOcc 0
64 mol 100 unq 3 iso 0 dist 6.45675 8.86688 9.71151 7.38135 7.11701 7.79768 5.35782 6.30222 5.03232 8.00947 numMergedOcc 0
65 mol 100 unq 3 iso 1 dist 8.86688 6.45675 9.71151 7.38135 7.79768 7.11701 5.35782 5.03232 6.30222 8.00947 numMergedOcc 0
66 mol 100 unq 2 iso 0 dist 7.47343 8.86688 10.1407 7.38135 11.2312 7.79768 7.82475 5.9143 5.25234 7.55779 numMergedOcc 0
67 mol 100 unq 2 iso 1 dist 8.86688 7.47343 10.1407 7.38135 7.79768 11.2312 7.82475 5.25234 5.9143 7.55779 numMergedOcc 0
68 mol 100 unq 3 iso 0 dist 7.47343 8.86688 10.1407 7.38135 11.2312 7.79768 5.35782 5.47563 5.03232 8.00947 numMergedOcc 0
69 mol 100 unq 3 iso 1 dist 8.86688 7.47343 10.1407 7.38135 7.79768 11.2312 5.35782 5.03232 5.47563 8.00947 numMergedOcc 0
70 mol 133 unq 0 iso 0 dist 7.24514 8.22656 6.65743 7.71248 4.34568 10.6025 8.26547 5.03174 4.88025 8.88402 numMergedOcc 0
71 mol 133 unq 0 iso 1 dist 8.22656 7.24514 6.65743 7.71248 10.6025 4.34568 8.26547 4.88025 5.03174 8.88402 numMergedOcc 0
72 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 9.33094 7.41373 10.8635 6.93712 numMergedOcc 0
73 mol 134 unq 0 iso 1 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 9.33094 10.8635 7.41373 6.93712 numMergedOcc 0
74 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 9.33094 7.41373 12.3479 6.93712 numMergedOcc 0
75 mol 134 unq 1 iso 1 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 9.33094 12.3479 7.41373 6.93712 numMergedOcc 0
76 mol 134 unq 1 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 9.33094 10.8635 12.3479 6.93712 numMergedOcc 0
77 mol 134 unq 1 iso 1 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 9.33094 12.3479 10.8635 6.93712 numMergedOcc 0
78 mol 134 unq 2 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 9.1998 12.8086 15.0225 11.5269 numMergedOcc 0
79 mol 134 unq 2 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 9.1998 15.0225 12.8086 11.5269 numMergedOcc 0
80 mol 134 unq 3 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 8.69531 7.41373 10.8635 6.93712 numMergedOcc 0
81 mol 134 unq 3 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 8.69531 10.8635 7.41373 6.93712 numMergedOcc 0
82 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 6.2479 6.6251 7.81713 9.76212 12.9532 6.50233 6.39406 numMergedOcc 0
83 mol 181 unq 0 iso 1 dist 8.03334 9.1374 13.2049 6.2479 7.81713 6.6251 9.76212 6.50233 12.9532 6.39406 numMergedOcc 0
84 mol 181 unq 1 iso 0 dist 7.81386 7.63312 8.85576 5.94469 7.77758 12.5387 6.64173 6.8757 10.6474 4.98436 numMergedOcc 0
85 mol 181 unq 1 iso 1 dist 7.63312 7.81386 8.85576 5.94469 12.5387 7.77758 6.64173 10.6474 6.8757 4.98436 numMergedOcc 0
86 mol 181 unq 2 iso 0 dist 7.81386 7.63312 8.85576 5.94469 7.77758 12.5387 9.01624 5.71898 5.93724 11.9796 numMergedOcc 0
87 mol 181 unq 2 iso 1 dist 7.63312 7.81386 8.85576 5.94469 12.5387 7.77758 9.01624 5.93724 5.71898 11.9796 numMergedOcc 0
88 mol 181 unq 3 iso 0 dist 7.81386 7.63312 8.85576 5.94469 7.77758 12.5387 9.55105 5.83796 5.12833 12.3589 numMergedOcc 0
89 mol 181 unq 3 iso 1 dist 7.63312 7.81386 8.85576 5.94469 12.5387 7.77758 9.55105 5.12833 5.83796 12.3589 numMergedOcc 0
90 mol 204 unq 0 iso 0 dist 7.10633 8.51516 10.8344 9.68728 7.67571 10.8573 7.9133 10.7169 5.57347 14.0756 numMergedOcc 0
91 mol 204 unq 0 iso 1 dist 8.51516 7.10633 10.8344 9.68728 10.8573 7.67571 7.9133 5.57347 10.7169 14.0756 numMergedOcc 0
92 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 6.03688 8.15057 12.4957 6.52816 9.49403 13.514 5.28417 numMergedOcc 0
93 mol 205 unq 0 iso 1 dist 7.26832 6.03031 7.38516 6.03688 12.4957 8.15057 6.52816 13.514 9.49403 5.28417 numMergedOcc 0
94 mol 205 unq 1 iso 0 dist 6.03031 7.80463 8.18714 6.03688 8.15057 6.09749 6.52816 9.49403 3.56269 5.28417 numMergedOcc 0
95 mol 205 unq 1 iso 1 dist 7.80463 6.03031 8.18714 6.03688 6.09749 8.15057 6.52816 3.56269 9.49403 5.28417 numMergedOcc 0
96 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 6.03688 12.4957 6.09749 6.52816 13.514 3.56269 5.28417 numMergedOcc 0
97 mol 205 unq 1 iso 1 dist 7.80463 7.26832 13.8543 6.03688 6.09749 12.4957 6.52816 3.56269 13.514 5.28417 numMergedOcc 0
98 mol 205 unq 2 iso 0 dist 9.61492 7.45763 11.8283 4.8668 9.13652 5.8535 6.49765 10.6504 8.67921 9.86388 numMergedOcc 0
99 mol 205 unq 2 iso 1 dist 7.45763 9.61492 11.8283 4.8668 5.8535 9.13652 6.49765 8.67921 10.6504 9.86388 numMergedOcc 0
100 mol 222 unq 0 iso 0 dist 6.00706 7.54212 6.8425 9.07471 7.75466 13.3447 6.74196 8.84507 12.8595 4.67663 numMergedOcc 0
101 mol 222 unq 0 iso 1 dist 7.54212 6.00706 6.8425 9.07471 13.3447 7.75466 6.74196 12.8595 8.84507 4.67663 numMergedOcc 0
102 mol 222 unq 1 iso 0 dist 6.00706 7.54212 6.8425 9.07471 7.75466 13.3447 8.36842 6.02502 12.5866 6.37382 numMergedOcc 0
103 mol 222 unq 1 iso 1 dist 7.54212 6.00706 6.8425 9.07471 13.3447 7.75466 8.36842 12.5866 6.02502 6.37382 numMergedOcc 0
104 mol 222 unq 2 iso 0 dist 6.00706 7.54212 6.8425 9.07471 7.75466 13.3447 9.75472 5.18677 11.9567 6.31322 numMergedOcc 0
105 mol 222 unq 2 iso 1 dist 7.54212 6.00706 6.8425 9.07471 13.3447 7.75466 9.75472 11.9567 5.18677 6.31322 numMergedOcc 0
106 mol 223 unq 0 iso 0 dist 8.77153 8.6166 8.51421 7.48463 11.8654 6.05524 6.42257 4.04036 9.47076 10.5752 numMergedOcc 0
107 mol 223 unq 0 iso 1 dist 8.6166 8.77153 8.51421 7.48463 6.05524 11.8654 6.42257 9.47076 4.04036 10.5752 numMergedOcc 0
108 mol 223 unq 1 iso 0 dist 8.77153 8.6166 8.51421 7.48463 11.8654 6.05524 9.33543 13.1538 5.39728 3.86668 numMergedOcc 0
109 mol 223 unq 1 iso 1 dist 8.6166 8.77153 8.51421 7.48463 6.05524 11.8654 9.33543 5.39728 13.1538 3.86668 numMergedOcc 0
110 mol 259 unq 0 iso 0 dist 8.13497 7.88519 4.69778 7.98231 8.41846 8.81835 9.46361 12.2293 11.6988 4.10176 numMergedOcc 0
111 mol 259 unq 0 iso 1 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 9.46361 11.6988 12.2293 4.10176 numMergedOcc 0
