0 mol 111 unq 0 iso 0 dist 8.13016 6.4659 8.51084 4.33993 5.53271 8.72808 numMergedOcc 0
1 mol 111 unq 0 iso 1 dist 8.13016 4.33993 5.53271 6.4659 8.51084 8.72808 numMergedOcc 0
2 mol 111 unq 1 iso 0 dist 8.03165 8.74843 8.51084 3.8652 5.53271 8.72808 numMergedOcc 0
3 mol 111 unq 1 iso 1 dist 8.03165 3.8652 5.53271 8.74843 8.51084 8.72808 numMergedOcc 0
4 mol 116 unq 0 iso 0 dist 7.78538 7.66715 7.65919 7.24165 8.55413 9.76537 numMergedOcc 0
5 mol 116 unq 0 iso 1 dist 7.78538 7.24165 8.55413 7.66715 7.65919 9.76537 numMergedOcc 0
6 mol 123 unq 0 iso 0 dist 9.05697 4.08778 8.09682 7.41602 8.35926 10.2185 numMergedOcc 0
7 mol 123 unq 0 iso 1 dist 9.05697 7.41602 8.35926 4.08778 8.09682 10.2185 numMergedOcc 0
8 mol 123 unq 1 iso 0 dist 9.05697 4.08778 8.09682 10.3587 7.41568 8.29136 numMergedOcc 0
9 mol 123 unq 1 iso 1 dist 9.05697 10.3587 7.41568 4.08778 8.09682 8.29136 numMergedOcc 0
10 mol 123 unq 1 iso 0 dist 9.05697 7.41602 8.35926 10.3587 7.41568 13.0033 numMergedOcc 0
11 mol 123 unq 1 iso 1 dist 9.05697 10.3587 7.41568 7.41602 8.35926 13.0033 numMergedOcc 0
12 mol 165 unq 0 iso 0 dist 7.63062 10.2833 9.43781 7.55801 7.84854 13.4383 numMergedOcc 0
13 mol 165 unq 0 iso 1 dist 7.63062 7.55801 7.84854 10.2833 9.43781 13.4383 numMergedOcc 0
14 mol 165 unq 1 iso 0 dist 6.87025 10.1643 9.43781 3.50963 7.84854 13.4383 numMergedOcc 0
15 mol 165 unq 1 iso 1 dist 6.87025 3.50963 7.84854 10.1643 9.43781 13.4383 numMergedOcc 0
16 mol 176 unq 0 iso 0 dist 9.67836 7.28478 4.67031 7.5034 6.20326 3.00778 numMergedOcc 0
17 mol 176 unq 0 iso 1 dist 9.67836 7.5034 6.20326 7.28478 4.67031 3.00778 numMergedOcc 0
18 mol 176 unq 1 iso 0 dist 9.67836 7.28478 4.67031 3.71651 8.98043 8.45723 numMergedOcc 0
19 mol 176 unq 1 iso 1 dist 9.67836 3.71651 8.98043 7.28478 4.67031 8.45723 numMergedOcc 0
20 mol 176 unq 2 iso 0 dist 9.67836 7.28478 4.67031 3.75871 6.8243 5.3861 numMergedOcc 0
21 mol 176 unq 2 iso 1 dist 9.67836 3.75871 6.8243 7.28478 4.67031 5.3861 numMergedOcc 0
22 mol 176 unq 3 iso 0 dist 9.67836 7.28478 4.67031 6.03305 8.90797 8.21185 numMergedOcc 0
23 mol 176 unq 3 iso 1 dist 9.67836 6.03305 8.90797 7.28478 4.67031 8.21185 numMergedOcc 0
24 mol 176 unq 1 iso 0 dist 9.67836 7.5034 6.20326 3.71651 8.98043 9.21089 numMergedOcc 0
25 mol 176 unq 1 iso 1 dist 9.67836 3.71651 8.98043 7.5034 6.20326 9.21089 numMergedOcc 0
26 mol 176 unq 2 iso 0 dist 9.67836 7.5034 6.20326 3.75871 6.8243 5.04828 numMergedOcc 0
27 mol 176 unq 2 iso 1 dist 9.67836 3.75871 6.8243 7.5034 6.20326 5.04828 numMergedOcc 0
28 mol 176 unq 3 iso 0 dist 9.67836 7.5034 6.20326 6.03305 8.90797 6.79616 numMergedOcc 0
29 mol 176 unq 3 iso 1 dist 9.67836 6.03305 8.90797 7.5034 6.20326 6.79616 numMergedOcc 0
30 mol 176 unq 2 iso 0 dist 9.67836 3.71651 8.98043 3.75871 6.8243 4.47711 numMergedOcc 0
31 mol 176 unq 2 iso 1 dist 9.67836 3.75871 6.8243 3.71651 8.98043 4.47711 numMergedOcc 0
32 mol 176 unq 3 iso 0 dist 9.67836 3.71651 8.98043 6.03305 8.90797 6.34877 numMergedOcc 0
33 mol 176 unq 3 iso 1 dist 9.67836 6.03305 8.90797 3.71651 8.98043 6.34877 numMergedOcc 0
34 mol 176 unq 3 iso 0 dist 9.67836 3.75871 6.8243 6.03305 8.90797 3.47516 numMergedOcc 0
35 mol 176 unq 3 iso 1 dist 9.67836 6.03305 8.90797 3.75871 6.8243 3.47516 numMergedOcc 0
36 mol 184 unq 0 iso 0 dist 6.0813 3.48538 7.42696 9.83309 5.86468 11.7423 numMergedOcc 0
37 mol 184 unq 0 iso 1 dist 6.0813 9.83309 5.86468 3.48538 7.42696 11.7423 numMergedOcc 0
38 mol 184 unq 1 iso 0 dist 6.0813 3.48538 7.42696 10.3543 8.73302 9.91264 numMergedOcc 0
39 mol 184 unq 1 iso 1 dist 6.0813 10.3543 8.73302 3.48538 7.42696 9.91264 numMergedOcc 0
40 mol 184 unq 1 iso 0 dist 6.0813 9.83309 5.86468 10.3543 8.73302 8.04915 numMergedOcc 0
41 mol 184 unq 1 iso 1 dist 6.0813 10.3543 8.73302 9.83309 5.86468 8.04915 numMergedOcc 0
42 mol 184 unq 2 iso 0 dist 8.25462 4.82518 7.42696 10.0034 5.86468 11.7423 numMergedOcc 0
43 mol 184 unq 2 iso 1 dist 8.25462 10.0034 5.86468 4.82518 7.42696 11.7423 numMergedOcc 0
44 mol 184 unq 3 iso 0 dist 8.25462 4.82518 7.42696 7.87645 8.73302 9.91264 numMergedOcc 0
45 mol 184 unq 3 iso 1 dist 8.25462 7.87645 8.73302 4.82518 7.42696 9.91264 numMergedOcc 0
46 mol 184 unq 3 iso 0 dist 8.25462 10.0034 5.86468 7.87645 8.73302 8.04915 numMergedOcc 0
47 mol 184 unq 3 iso 1 dist 8.25462 7.87645 8.73302 10.0034 5.86468 8.04915 numMergedOcc 0
48 mol 287 unq 0 iso 0 dist 7.84874 13.2228 8.15636 7.92272 7.86292 6.88819 numMergedOcc 0
49 mol 287 unq 0 iso 1 dist 7.84874 7.92272 7.86292 13.2228 8.15636 6.88819 numMergedOcc 0
50 mol 288 unq 0 iso 0 dist 7.84874 13.2228 8.15636 7.92272 7.86292 6.88819 numMergedOcc 0
51 mol 288 unq 0 iso 1 dist 7.84874 7.92272 7.86292 13.2228 8.15636 6.88819 numMergedOcc 0
52 mol 289 unq 0 iso 0 dist 7.84874 13.2228 8.15636 7.92272 7.86292 6.88819 numMergedOcc 0
53 mol 289 unq 0 iso 1 dist 7.84874 7.92272 7.86292 13.2228 8.15636 6.88819 numMergedOcc 0
54 mol 294 unq 0 iso 0 dist 6.23503 5.79371 8.81999 8.36509 4.83062 11.8335 numMergedOcc 0
55 mol 294 unq 0 iso 1 dist 6.23503 8.36509 4.83062 5.79371 8.81999 11.8335 numMergedOcc 0
56 mol 294 unq 1 iso 0 dist 6.23503 5.79371 8.81999 7.43679 5.18334 12.3466 numMergedOcc 0
57 mol 294 unq 1 iso 1 dist 6.23503 7.43679 5.18334 5.79371 8.81999 12.3466 numMergedOcc 0
58 mol 294 unq 1 iso 0 dist 6.23503 8.36509 4.83062 7.43679 5.18334 4.59062 numMergedOcc 0
59 mol 294 unq 1 iso 1 dist 6.23503 7.43679 5.18334 8.36509 4.83062 4.59062 numMergedOcc 0
60 mol 294 unq 2 iso 0 dist 6.95139 11.3784 8.81999 7.31311 4.83062 11.8335 numMergedOcc 0
61 mol 294 unq 2 iso 1 dist 6.95139 7.31311 4.83062 11.3784 8.81999 11.8335 numMergedOcc 0
62 mol 294 unq 3 iso 0 dist 6.95139 11.3784 8.81999 3.69827 5.18334 12.3466 numMergedOcc 0
63 mol 294 unq 3 iso 1 dist 6.95139 3.69827 5.18334 11.3784 8.81999 12.3466 numMergedOcc 0
64 mol 294 unq 3 iso 0 dist 6.95139 7.31311 4.83062 3.69827 5.18334 4.59062 numMergedOcc 0
65 mol 294 unq 3 iso 1 dist 6.95139 3.69827 5.18334 7.31311 4.83062 4.59062 numMergedOcc 0
66 mol 294 unq 4 iso 0 dist 8.53718 7.31311 8.65363 3.69827 6.44588 4.59062 numMergedOcc 0
67 mol 294 unq 4 iso 1 dist 8.53718 3.69827 6.44588 7.31311 8.65363 4.59062 numMergedOcc 0
