0 mol 7 unq 0 iso 0 dist 9.34656 15.0884 6.36911 17.5535 9.97624 5.03847 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.34656 6.3236 9.36807 17.5535 9.97624 13.8829 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.25905 7.43559 8.52106 15.137 8.80193 10.6757 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 8.25905 10.1793 6.32451 15.137 8.80193 7.62011 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 4.82549 6.5268 6.08338 7.9574 6.93185 10.6971 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 8.06918 9.17087 8.33704 13.012 9.48582 6.50609 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 8.06918 5.33532 7.92394 13.012 9.48582 8.34216 numMergedOcc 0
7 mol 70 unq 2 iso 0 dist 8.56968 12.189 8.33704 13.7078 9.48582 6.50609 numMergedOcc 0
8 mol 70 unq 3 iso 0 dist 8.56968 7.6455 7.92394 13.7078 9.48582 8.34216 numMergedOcc 0
9 mol 70 unq 4 iso 0 dist 7.70428 9.32366 8.33704 5.98585 9.48582 6.50609 numMergedOcc 0
10 mol 70 unq 5 iso 0 dist 7.70428 7.61147 7.92394 5.98585 9.48582 8.34216 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 9.9443 5.82808 9.39469 10.516 7.09065 9.36726 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 9.9443 10.2548 4.76815 10.516 7.09065 7.16919 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 9.0405 9.7939 8.72704 5.16528 6.0652 10.6245 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 8.94447 12.7099 6.81812 15.0577 7.33541 9.76608 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.43229 5.98221 7.76729 11.6661 7.70313 14.0688 numMergedOcc 0
16 mol 126 unq 0 iso 0 dist 6.35364 8.50279 7.75534 11.4029 7.36017 6.0268 numMergedOcc 0
17 mol 126 unq 1 iso 0 dist 6.35364 8.50279 7.75534 7.05454 5.14819 8.01268 numMergedOcc 0
18 mol 126 unq 2 iso 0 dist 6.35364 8.50279 7.75534 4.95023 6.84245 10.2072 numMergedOcc 0
19 mol 126 unq 3 iso 0 dist 6.35364 5.68478 9.06011 11.4029 7.36017 10.1326 numMergedOcc 0
20 mol 126 unq 4 iso 0 dist 6.35364 5.68478 9.06011 7.05454 5.14819 6.51507 numMergedOcc 0
21 mol 126 unq 5 iso 0 dist 6.35364 5.68478 9.06011 4.95023 6.84245 5.78149 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 9.59094 11.0811 7.92688 12.0166 6.51868 5.92062 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 9.59094 11.0811 7.92688 5.14992 7.34698 6.61891 numMergedOcc 0
24 mol 140 unq 0 iso 0 dist 9.7944 10.2481 6.95323 6.06919 8.60108 5.64422 numMergedOcc 0
25 mol 140 unq 1 iso 0 dist 9.7944 7.49203 7.27371 6.06919 8.60108 7.3833 numMergedOcc 0
26 mol 140 unq 2 iso 0 dist 9.38836 5.73219 6.95323 10.5869 8.60108 5.64422 numMergedOcc 0
27 mol 140 unq 3 iso 0 dist 9.38836 11.5485 7.27371 10.5869 8.60108 7.3833 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 7.13287 5.01665 7.31468 11.3048 6.46089 10.0059 numMergedOcc 0
29 mol 143 unq 1 iso 0 dist 7.13287 4.9475 7.7056 11.3048 6.46089 8.57817 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 5.55727 4.89429 7.13543 4.80772 6.32777 5.77299 numMergedOcc 0
31 mol 194 unq 0 iso 0 dist 9.20864 13.9921 6.95408 15.2264 9.86703 5.43725 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 9.20864 10.0058 9.57538 15.2264 9.86703 10.0597 numMergedOcc 0
33 mol 194 unq 2 iso 0 dist 9.20864 7.93019 9.2285 15.2264 9.86703 13.5246 numMergedOcc 0
34 mol 194 unq 3 iso 0 dist 9.20864 5.58057 7.58278 15.2264 9.86703 14.8824 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 6.31342 6.9955 5.50387 7.13133 9.47117 8.32583 numMergedOcc 0
36 mol 235 unq 0 iso 0 dist 6.43838 5.06584 5.65339 11.539 6.54825 7.77516 numMergedOcc 0
37 mol 235 unq 1 iso 0 dist 9.24964 6.70342 9.58736 13.9329 7.31773 15.6327 numMergedOcc 0
38 mol 235 unq 2 iso 0 dist 9.24964 6.38281 9.43058 13.9329 7.31773 10.632 numMergedOcc 0
39 mol 235 unq 3 iso 0 dist 9.24964 10.6146 8.75735 13.9329 7.31773 6.01041 numMergedOcc 0
40 mol 235 unq 4 iso 0 dist 9.24964 14.8599 6.98084 13.9329 7.31773 6.82855 numMergedOcc 0
41 mol 235 unq 5 iso 0 dist 9.24964 16.2392 7.32211 13.9329 7.31773 6.46722 numMergedOcc 0
42 mol 235 unq 6 iso 0 dist 5.71896 6.01036 9.58736 10.1328 7.31773 15.6327 numMergedOcc 0
43 mol 235 unq 7 iso 0 dist 5.71896 4.99641 9.43058 10.1328 7.31773 10.632 numMergedOcc 0
44 mol 235 unq 8 iso 0 dist 5.71896 7.72505 8.75735 10.1328 7.31773 6.01041 numMergedOcc 0
45 mol 235 unq 9 iso 0 dist 5.71896 12.2179 6.98084 10.1328 7.31773 6.82855 numMergedOcc 0
46 mol 235 unq 10 iso 0 dist 5.71896 11.7282 7.32211 10.1328 7.31773 6.46722 numMergedOcc 0
47 mol 235 unq 11 iso 0 dist 8.3229 17.1296 9.58736 6.43382 7.31773 15.6327 numMergedOcc 0
48 mol 235 unq 12 iso 0 dist 8.3229 12.86 9.43058 6.43382 7.31773 10.632 numMergedOcc 0
49 mol 235 unq 13 iso 0 dist 8.3229 9.39763 8.75735 6.43382 7.31773 6.01041 numMergedOcc 0
50 mol 235 unq 14 iso 0 dist 8.3229 4.29928 6.98084 6.43382 7.31773 6.82855 numMergedOcc 0
51 mol 235 unq 15 iso 0 dist 8.3229 10.1212 7.32211 6.43382 7.31773 6.46722 numMergedOcc 0
52 mol 253 unq 0 iso 0 dist 7.83041 12.3321 7.19465 11.6772 9.58354 5.78064 numMergedOcc 0
53 mol 259 unq 0 iso 0 dist 6.18798 5.32305 8.12892 5.72909 7.7574 9.49258 numMergedOcc 0
54 mol 264 unq 0 iso 0 dist 5.50677 14.447 9.0012 10.3381 5.91213 7.52936 numMergedOcc 0
55 mol 264 unq 1 iso 0 dist 8.75957 14.447 9.5784 10.3381 7.34094 7.52936 numMergedOcc 0
56 mol 267 unq 0 iso 0 dist 6.87713 11.9598 8.76007 15.4443 9.01354 9.33806 numMergedOcc 0
57 mol 267 unq 1 iso 0 dist 8.87518 9.77423 8.76007 8.08702 9.01354 9.33806 numMergedOcc 0
58 mol 274 unq 0 iso 0 dist 8.38395 6.45522 9.19234 9.16187 9.20749 5.64601 numMergedOcc 0
