0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 14.9934 14.7759 9.68596 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 10.6838 6.86684 5.96346 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 9.68387 10.4366 6.93532 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 13.5984 5.59311 8.70827 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 18.4559 12.176 6.73939 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 9.54519 5.80023 7.36323 13.5984 5.59311 9.12854 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.11056 10.4744 8.86116 16.6031 14.012 9.41441 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 8.78181 6.08585 8.50222 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 8.40051 14.4191 7.17969 8.78181 6.08585 7.55264 numMergedOcc 0
9 mol 25 unq 2 iso 0 dist 8.6396 5.8503 5.04899 8.78181 5.77929 8.87757 numMergedOcc 0
10 mol 25 unq 3 iso 0 dist 8.88413 5.59268 7.17969 11.6272 10.8498 6.16347 numMergedOcc 0
11 mol 25 unq 4 iso 0 dist 8.88413 5.59268 7.17969 7.05148 5.30154 7.92503 numMergedOcc 0
12 mol 25 unq 5 iso 0 dist 9.87281 6.17631 7.31767 7.05148 5.64303 8.6653 numMergedOcc 0
13 mol 25 unq 6 iso 0 dist 7.63928 6.17631 6.03987 7.05148 5.82503 8.6653 numMergedOcc 0
14 mol 54 unq 0 iso 0 dist 5.97635 6.76462 6.83299 4.38047 4.29856 6.14538 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 5.84625 9.95364 8.80614 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 5.84625 5.49591 8.80614 numMergedOcc 0
17 mol 59 unq 0 iso 0 dist 6.65344 13.1729 7.71095 16.2055 9.64444 6.73347 numMergedOcc 0
18 mol 59 unq 1 iso 0 dist 7.7978 6.8958 7.17396 12.9886 6.90592 8.08618 numMergedOcc 0
19 mol 59 unq 2 iso 0 dist 9.55751 5.85228 7.17396 13.0785 6.90592 8.08618 numMergedOcc 0
20 mol 64 unq 0 iso 0 dist 8.99491 4.96726 9.67592 6.23138 6.21578 9.97159 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 9.54477 6.56633 9.24757 numMergedOcc 0
22 mol 75 unq 0 iso 0 dist 6.95595 12.7957 7.79912 18.3917 11.4997 9.81166 numMergedOcc 0
23 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 9.49995 11.4333 9.49454 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 10.9995 7.06961 6.7117 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 5.9747 11.3628 6.10456 10.9995 7.06961 4.47349 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 4.50572 6.88489 5.08437 11.1541 7.06961 6.7117 numMergedOcc 0
27 mol 98 unq 3 iso 0 dist 4.50572 9.82583 6.10456 11.1541 7.06961 4.47349 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 9.34823 5.13589 6.73586 numMergedOcc 0
29 mol 126 unq 0 iso 0 dist 8.32241 4.84035 6.06638 8.97111 6.0268 6.30546 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 6.38163 10.0961 5.83384 12.672 10.7293 9.36851 numMergedOcc 0
31 mol 129 unq 1 iso 0 dist 6.38163 10.0961 5.83384 11.6466 7.29399 4.97175 numMergedOcc 0
32 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 13.6954 14.2045 8.70296 numMergedOcc 0
33 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 10.9811 5.09131 9.25558 numMergedOcc 0
34 mol 131 unq 2 iso 0 dist 7.81337 11.4498 6.85062 15.1282 13.7237 9.90168 numMergedOcc 0
35 mol 133 unq 0 iso 0 dist 5.82404 10.2385 6.29155 6.72323 4.54648 6.16242 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 5.82404 4.64588 6.80239 6.72323 4.54648 5.87634 numMergedOcc 0
37 mol 133 unq 2 iso 0 dist 5.86531 6.26797 7.11802 14.2733 16.0138 9.22232 numMergedOcc 0
38 mol 133 unq 3 iso 0 dist 5.86531 6.26797 7.11802 6.42904 5.92062 9.22661 numMergedOcc 0
39 mol 133 unq 4 iso 0 dist 5.86531 6.26797 7.11802 10.0298 6.61891 7.56378 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 12.1527 4.57832 6.23142 numMergedOcc 0
41 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 12.1527 4.57832 9.94764 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 9.60411 10.5108 6.37586 12.1527 5.29786 6.23142 numMergedOcc 0
43 mol 134 unq 3 iso 0 dist 9.60411 6.20443 9.71307 12.1527 5.29786 9.94764 numMergedOcc 0
44 mol 134 unq 4 iso 0 dist 9.55556 11.9294 8.94367 11.9876 4.57832 6.23142 numMergedOcc 0
45 mol 134 unq 5 iso 0 dist 9.55556 6.36794 9.86662 11.9876 4.57832 9.94764 numMergedOcc 0
46 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 15.1236 13.0123 9.67741 numMergedOcc 0
47 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 12.7332 7.20191 9.39829 numMergedOcc 0
48 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 13.401 5.63555 5.9176 numMergedOcc 0
49 mol 181 unq 2 iso 0 dist 9.84952 12.9554 7.63312 12.7332 7.20191 6.41453 numMergedOcc 0
50 mol 205 unq 0 iso 0 dist 5.96555 10.7091 7.26832 14.6151 10.3603 5.44002 numMergedOcc 0
51 mol 205 unq 1 iso 0 dist 6.752 4.2475 7.45763 7.23557 5.8535 4.8668 numMergedOcc 0
52 mol 205 unq 2 iso 0 dist 5.4913 6.8901 7.45763 8.86587 5.8535 4.8668 numMergedOcc 0
53 mol 210 unq 0 iso 0 dist 8.62103 3.84723 6.18308 10.7279 5.87279 7.10826 numMergedOcc 0
54 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 5.89818 7.75656 7.67576 numMergedOcc 0
55 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 9.32543 16.0949 9.82371 numMergedOcc 0
56 mol 229 unq 0 iso 0 dist 8.6537 8.65216 8.22528 9.38362 6.65022 8.66332 numMergedOcc 0
57 mol 231 unq 0 iso 0 dist 8.01942 8.55683 8.40182 15.781 12.1512 7.79066 numMergedOcc 0
58 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 7.83422 8.80479 9.05071 numMergedOcc 0
59 mol 235 unq 0 iso 0 dist 8.48065 5.23741 5.4638 10.8785 7.60081 9.55668 numMergedOcc 0
60 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 20.4128 14.7883 9.24557 numMergedOcc 0
61 mol 238 unq 1 iso 0 dist 8.59074 9.18011 5.72887 16.6167 14.7883 9.24557 numMergedOcc 0
62 mol 238 unq 2 iso 0 dist 6.2365 4.7157 5.72887 12.6054 14.7883 9.24557 numMergedOcc 0
63 mol 241 unq 0 iso 0 dist 8.40773 6.72492 7.4631 10.5164 4.45049 7.89524 numMergedOcc 0
64 mol 241 unq 1 iso 0 dist 9.18476 9.87799 7.4631 12.949 4.45049 7.89524 numMergedOcc 0
65 mol 258 unq 0 iso 0 dist 5.73834 6.48867 6.60405 8.63176 5.63675 7.21311 numMergedOcc 0
66 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 13.1095 8.41846 7.98231 numMergedOcc 0
67 mol 264 unq 0 iso 0 dist 8.43858 8.55312 6.24356 13.7665 7.52936 5.93616 numMergedOcc 0
68 mol 264 unq 1 iso 0 dist 8.19504 3.93713 6.24356 9.3201 5.00209 7.16853 numMergedOcc 0
69 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 9.02071 6.20558 9.85289 numMergedOcc 0
70 mol 292 unq 0 iso 0 dist 9.30668 8.04474 8.2734 13.7647 10.8848 7.07965 numMergedOcc 0
