0 mol 34 unq 0 iso 0 dist 6.24711 14.0576 9.58596 4.55481 4.58552 12.3532 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 6.6263 7.05402 7.15901 10.8828 8.34145 4.69849 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 6.75943 5.48048 7.15901 5.07458 8.34145 4.69849 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 6.66407 5.64171 7.24352 11.4153 9.50614 8.41793 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 6.66407 5.64171 7.24352 4.96926 8.34145 4.55347 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 9.03564 10.1082 7.06146 9.96534 8.77529 8.97695 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 8.40422 8.79802 6.65534 10.6632 8.05579 4.01045 numMergedOcc 0
7 mol 89 unq 1 iso 0 dist 8.40425 5.88324 6.65534 9.32983 8.05579 4.01045 numMergedOcc 0
8 mol 89 unq 2 iso 0 dist 7.47974 6.52312 6.65534 10.4274 8.05579 4.01045 numMergedOcc 0
9 mol 89 unq 3 iso 0 dist 5.51831 6.60299 6.65534 6.13636 8.05579 4.01045 numMergedOcc 0
10 mol 89 unq 4 iso 0 dist 9.65149 6.30713 6.65534 6.14929 8.05579 4.01045 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.36001 7.24315 6.98037 6.77937 9.99441 8.11408 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 9.22631 9.57225 5.71763 4.93402 7.23305 7.92049 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 9.3948 14.484 7.27506 13.086 8.75345 4.21171 numMergedOcc 0
14 mol 105 unq 0 iso 0 dist 9.16718 7.33596 7.44838 4.4598 9.17843 9.94027 numMergedOcc 0
15 mol 105 unq 1 iso 0 dist 7.94633 8.22667 7.44838 8.50101 9.17843 9.94027 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 7.7988 7.83771 7.34602 11.0625 6.96745 9.02942 numMergedOcc 0
17 mol 112 unq 1 iso 0 dist 9.40824 11.4843 7.34602 14.5726 6.96745 9.02942 numMergedOcc 0
18 mol 112 unq 2 iso 0 dist 4.22363 9.97869 7.34602 9.05551 6.96745 9.02942 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 9.33094 9.4027 5.11043 8.06642 8.62504 4.935 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 8.69531 5.12325 5.11043 4.00092 8.62504 4.935 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 5.35237 6.02179 8.48313 5.4761 5.78982 11.1905 numMergedOcc 0
22 mol 134 unq 3 iso 0 dist 7.99477 10.9332 8.48313 5.03507 5.78982 11.1905 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 5.37047 9.23795 8.612 7.39837 9.29944 6.78032 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 5.40637 10.8441 8.68663 4.78563 9.29944 15.2605 numMergedOcc 0
25 mol 170 unq 0 iso 0 dist 9.08274 5.95519 5.13268 6.86812 8.75024 8.5768 numMergedOcc 0
26 mol 170 unq 1 iso 0 dist 9.51256 7.72147 5.13268 5.7304 8.75024 8.5768 numMergedOcc 0
27 mol 178 unq 0 iso 0 dist 7.06025 10.1489 8.25282 10.8974 7.86352 7.323 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 7.94911 12.2697 9.62911 4.72944 7.90657 12.5919 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 8.14831 6.18042 8.69811 6.28241 6.46405 6.37008 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 8.14831 4.76151 4.98402 6.28241 6.46405 6.05548 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 5.23634 10.5813 9.43618 4.664 8.85955 14.9695 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 5.23634 10.5813 9.43618 4.1511 6.09335 11.2819 numMergedOcc 0
33 mol 227 unq 2 iso 0 dist 6.91318 7.22396 9.43618 8.49509 8.85955 14.9695 numMergedOcc 0
34 mol 227 unq 3 iso 0 dist 6.91318 7.22396 9.43618 4.69247 6.09335 11.2819 numMergedOcc 0
35 mol 235 unq 0 iso 0 dist 8.19317 11.5211 9.11454 9.72447 6.03081 10.0222 numMergedOcc 0
36 mol 235 unq 1 iso 0 dist 8.19317 11.5211 9.11454 12.983 7.41433 6.89973 numMergedOcc 0
37 mol 235 unq 2 iso 0 dist 5.1823 6.65703 9.11454 4.21867 6.03081 10.0222 numMergedOcc 0
38 mol 235 unq 3 iso 0 dist 5.1823 6.65703 9.11454 5.88852 7.41433 6.89973 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 9.12776 11.0349 6.53286 5.71717 4.66186 8.5378 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 9.72188 10.7551 6.53286 10.4706 4.66186 8.5378 numMergedOcc 0
41 mol 264 unq 0 iso 0 dist 5.90924 4.48907 7.14086 5.71153 9.78237 5.82131 numMergedOcc 0
42 mol 264 unq 1 iso 0 dist 5.90924 4.48907 7.14086 5.70542 9.70101 10.0297 numMergedOcc 0
43 mol 264 unq 2 iso 0 dist 5.90924 4.48907 7.14086 6.87635 9.95798 9.58444 numMergedOcc 0
44 mol 264 unq 3 iso 0 dist 5.90058 9.09085 7.14086 12.6872 9.78237 5.82131 numMergedOcc 0
45 mol 264 unq 4 iso 0 dist 5.90058 9.09085 7.14086 9.63145 9.70101 10.0297 numMergedOcc 0
46 mol 264 unq 5 iso 0 dist 5.90058 9.09085 7.14086 12.9337 9.95798 9.58444 numMergedOcc 0
47 mol 264 unq 6 iso 0 dist 9.58916 10.1591 7.14086 6.56539 9.78237 5.82131 numMergedOcc 0
48 mol 264 unq 7 iso 0 dist 9.58916 10.1591 7.14086 10.1301 9.70101 10.0297 numMergedOcc 0
49 mol 264 unq 8 iso 0 dist 9.58916 10.1591 7.14086 4.76241 9.95798 9.58444 numMergedOcc 0
50 mol 264 unq 9 iso 0 dist 9.19754 6.84156 6.02757 11.4167 9.78237 7.36132 numMergedOcc 0
51 mol 264 unq 10 iso 0 dist 8.29262 9.37297 6.02757 13.2035 9.78237 7.36132 numMergedOcc 0
52 mol 273 unq 0 iso 0 dist 6.31969 5.9476 5.4307 10.2693 9.02537 6.87067 numMergedOcc 0
53 mol 284 unq 0 iso 0 dist 9.19921 10.8266 8.63754 11.7046 9.69019 5.54893 numMergedOcc 0
54 mol 284 unq 1 iso 0 dist 6.41303 8.63375 8.63754 7.70187 9.69019 5.54893 numMergedOcc 0
55 mol 292 unq 0 iso 0 dist 9.46442 9.84292 9.2558 17.5073 9.23612 11.4284 numMergedOcc 0
