0 mol 0 unq 0 iso 0 dist 9.99338 9.72725 7.05033 14.9294 8.13129 12.5416 15.247 9.07223 15.8082 7.19817 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 9.99338 9.72725 7.05033 15.247 9.07223 15.8082 14.9294 8.13129 12.5416 7.19817 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.28925 9.87885 5.35168 9.0379 7.5706 10.25 13.2247 8.70159 6.1206 15.4949 numMergedOcc 0
3 mol 7 unq 0 iso 1 dist 6.28925 9.87885 5.35168 13.2247 8.70159 6.1206 9.0379 7.5706 10.25 15.4949 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 8.70159 6.1206 5.35168 15.4949 7.5706 10.25 13.2247 6.28925 9.87885 9.0379 numMergedOcc 0
5 mol 7 unq 1 iso 1 dist 8.70159 6.1206 5.35168 13.2247 6.28925 9.87885 15.4949 7.5706 10.25 9.0379 numMergedOcc 0
6 mol 7 unq 2 iso 0 dist 8.70159 7.67927 10.1219 15.4949 7.5706 13.6071 13.2247 6.28925 14.1836 9.0379 numMergedOcc 0
7 mol 7 unq 2 iso 1 dist 8.70159 7.67927 10.1219 13.2247 6.28925 14.1836 15.4949 7.5706 13.6071 9.0379 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 5.61656 6.07517 8.74649 5.03351 8.67487 10.442 5.34368 6.95343 6.74179 6.89466 numMergedOcc 0
9 mol 30 unq 0 iso 1 dist 5.61656 6.07517 8.74649 5.34368 6.95343 6.74179 5.03351 8.67487 10.442 6.89466 numMergedOcc 0
10 mol 30 unq 1 iso 0 dist 6.95343 6.74179 8.74649 5.34368 5.61656 6.07517 6.89466 8.67487 10.442 5.03351 numMergedOcc 0
11 mol 30 unq 1 iso 1 dist 6.95343 6.74179 8.74649 6.89466 8.67487 10.442 5.34368 5.61656 6.07517 5.03351 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 8.92291 6.66407 10.0882 5.06502 6.79185 10.0168 5.89973 8.37962 10.9975 6.45462 numMergedOcc 0
13 mol 43 unq 0 iso 1 dist 8.92291 6.66407 10.0882 5.89973 8.37962 10.9975 5.06502 6.79185 10.0168 6.45462 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 9.33919 9.73086 10.4668 5.4148 9.79143 7.4369 14.9342 6.43377 12.8207 13.3558 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 9.33919 9.73086 10.4668 14.9342 6.43377 12.8207 5.4148 9.79143 7.4369 13.3558 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 9.79143 8.68662 12.8099 5.4148 9.33919 12.2276 13.3558 6.43377 13.8931 14.9342 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 9.79143 8.68662 12.8099 13.3558 6.43377 13.8931 5.4148 9.33919 12.2276 14.9342 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 9.79143 7.4369 10.4668 5.4148 9.33919 9.73086 13.3558 6.43377 12.8207 14.9342 numMergedOcc 0
19 mol 73 unq 2 iso 1 dist 9.79143 7.4369 10.4668 13.3558 6.43377 12.8207 5.4148 9.33919 9.73086 14.9342 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 6.43377 5.5087 4.25755 14.9342 9.33919 13.3207 13.3558 9.79143 13.8368 5.4148 numMergedOcc 0
21 mol 73 unq 3 iso 1 dist 6.43377 5.5087 4.25755 13.3558 9.79143 13.8368 14.9342 9.33919 13.3207 5.4148 numMergedOcc 0
22 mol 73 unq 4 iso 0 dist 6.43377 6.08682 6.08046 14.9342 9.33919 14.498 13.3558 9.79143 14.5999 5.4148 numMergedOcc 0
23 mol 73 unq 4 iso 1 dist 6.43377 6.08682 6.08046 13.3558 9.79143 14.5999 14.9342 9.33919 14.498 5.4148 numMergedOcc 0
24 mol 86 unq 0 iso 0 dist 6.81209 7.90423 11.0058 12.6999 7.73058 18.5932 7.03817 8.54122 14.7611 9.22735 numMergedOcc 0
25 mol 86 unq 0 iso 1 dist 6.81209 7.90423 11.0058 7.03817 8.54122 14.7611 12.6999 7.73058 18.5932 9.22735 numMergedOcc 0
26 mol 88 unq 0 iso 0 dist 9.30559 7.51139 9.68157 13.5016 5.96359 13.6401 11.8813 7.48974 14.5667 4.96064 numMergedOcc 0
27 mol 88 unq 0 iso 1 dist 9.30559 7.51139 9.68157 11.8813 7.48974 14.5667 13.5016 5.96359 13.6401 4.96064 numMergedOcc 0
28 mol 88 unq 1 iso 0 dist 9.30559 7.51139 9.68157 13.5016 5.96359 13.6401 11.6198 8.40428 16.1334 8.62396 numMergedOcc 0
29 mol 88 unq 1 iso 1 dist 9.30559 7.51139 9.68157 11.6198 8.40428 16.1334 13.5016 5.96359 13.6401 8.62396 numMergedOcc 0
30 mol 88 unq 1 iso 0 dist 9.30559 7.51139 9.68157 11.8813 7.48974 14.5667 11.6198 8.40428 16.1334 5.05664 numMergedOcc 0
31 mol 88 unq 1 iso 1 dist 9.30559 7.51139 9.68157 11.6198 8.40428 16.1334 11.8813 7.48974 14.5667 5.05664 numMergedOcc 0
32 mol 88 unq 2 iso 0 dist 6.066 7.80898 6.29943 5.57085 9.36032 12.785 9.94966 8.3592 13.6401 10.9968 numMergedOcc 0
33 mol 88 unq 2 iso 1 dist 6.066 7.80898 6.29943 9.94966 8.3592 13.6401 5.57085 9.36032 12.785 10.9968 numMergedOcc 0
34 mol 219 unq 0 iso 0 dist 5.40597 4.33238 4.27314 7.02195 7.66784 7.83604 13.4387 8.69579 11.734 10.7348 numMergedOcc 0
35 mol 219 unq 0 iso 1 dist 5.40597 4.33238 4.27314 13.4387 8.69579 11.734 7.02195 7.66784 7.83604 10.7348 numMergedOcc 0
36 mol 219 unq 1 iso 0 dist 5.40597 4.33238 4.27314 7.02195 7.66784 7.83604 10.8119 6.71733 10.9627 10.6748 numMergedOcc 0
37 mol 219 unq 1 iso 1 dist 5.40597 4.33238 4.27314 10.8119 6.71733 10.9627 7.02195 7.66784 7.83604 10.6748 numMergedOcc 0
38 mol 219 unq 1 iso 0 dist 5.40597 4.33238 4.27314 13.4387 8.69579 11.734 10.8119 6.71733 10.9627 6.74494 numMergedOcc 0
39 mol 219 unq 1 iso 1 dist 5.40597 4.33238 4.27314 10.8119 6.71733 10.9627 13.4387 8.69579 11.734 6.74494 numMergedOcc 0
40 mol 219 unq 2 iso 0 dist 7.66784 7.83604 4.27314 7.02195 5.40597 4.33238 10.7348 8.69579 11.734 13.4387 numMergedOcc 0
41 mol 219 unq 2 iso 1 dist 7.66784 7.83604 4.27314 10.7348 8.69579 11.734 7.02195 5.40597 4.33238 13.4387 numMergedOcc 0
42 mol 219 unq 3 iso 0 dist 7.66784 7.83604 4.27314 7.02195 5.40597 4.33238 10.6748 6.71733 10.9627 10.8119 numMergedOcc 0
43 mol 219 unq 3 iso 1 dist 7.66784 7.83604 4.27314 10.6748 6.71733 10.9627 7.02195 5.40597 4.33238 10.8119 numMergedOcc 0
44 mol 219 unq 3 iso 0 dist 7.66784 7.83604 4.27314 10.7348 8.69579 11.734 10.6748 6.71733 10.9627 6.74494 numMergedOcc 0
45 mol 219 unq 3 iso 1 dist 7.66784 7.83604 4.27314 10.6748 6.71733 10.9627 10.7348 8.69579 11.734 6.74494 numMergedOcc 0
46 mol 225 unq 0 iso 0 dist 9.31373 8.1945 5.95485 12.0157 8.25629 11.751 15.3446 9.20561 12.0438 16.718 numMergedOcc 0
47 mol 225 unq 0 iso 1 dist 9.31373 8.1945 5.95485 15.3446 9.20561 12.0438 12.0157 8.25629 11.751 16.718 numMergedOcc 0
48 mol 225 unq 1 iso 0 dist 9.31373 8.1945 5.95485 12.0157 8.25629 11.751 13.3965 9.88976 6.50998 12.5593 numMergedOcc 0
49 mol 225 unq 1 iso 1 dist 9.31373 8.1945 5.95485 13.3965 9.88976 6.50998 12.0157 8.25629 11.751 12.5593 numMergedOcc 0
50 mol 225 unq 1 iso 0 dist 9.31373 8.1945 5.95485 15.3446 9.20561 12.0438 13.3965 9.88976 6.50998 16.5576 numMergedOcc 0
51 mol 225 unq 1 iso 1 dist 9.31373 8.1945 5.95485 13.3965 9.88976 6.50998 15.3446 9.20561 12.0438 16.5576 numMergedOcc 0
52 mol 225 unq 2 iso 0 dist 9.88976 6.50998 5.95485 12.5593 8.25629 11.751 13.3965 9.31373 8.1945 12.0157 numMergedOcc 0
53 mol 225 unq 2 iso 1 dist 9.88976 6.50998 5.95485 13.3965 9.31373 8.1945 12.5593 8.25629 11.751 12.0157 numMergedOcc 0
54 mol 225 unq 3 iso 0 dist 9.88976 6.50998 5.95485 12.5593 8.25629 11.751 16.5576 9.20561 12.0438 16.718 numMergedOcc 0
55 mol 225 unq 3 iso 1 dist 9.88976 6.50998 5.95485 16.5576 9.20561 12.0438 12.5593 8.25629 11.751 16.718 numMergedOcc 0
56 mol 225 unq 3 iso 0 dist 9.88976 6.50998 5.95485 13.3965 9.31373 8.1945 16.5576 9.20561 12.0438 15.3446 numMergedOcc 0
57 mol 225 unq 3 iso 1 dist 9.88976 6.50998 5.95485 16.5576 9.20561 12.0438 13.3965 9.31373 8.1945 15.3446 numMergedOcc 0
58 mol 225 unq 4 iso 0 dist 9.88976 9.09424 13.0993 12.5593 8.25629 19.3923 13.3965 9.31373 14.7849 12.0157 numMergedOcc 0
59 mol 225 unq 4 iso 1 dist 9.88976 9.09424 13.0993 13.3965 9.31373 14.7849 12.5593 8.25629 19.3923 12.0157 numMergedOcc 0
60 mol 225 unq 5 iso 0 dist 9.88976 9.09424 13.0993 12.5593 8.25629 19.3923 16.5576 9.20561 15.0845 16.718 numMergedOcc 0
61 mol 225 unq 5 iso 1 dist 9.88976 9.09424 13.0993 16.5576 9.20561 15.0845 12.5593 8.25629 19.3923 16.718 numMergedOcc 0
62 mol 225 unq 5 iso 0 dist 9.88976 9.09424 13.0993 13.3965 9.31373 14.7849 16.5576 9.20561 15.0845 15.3446 numMergedOcc 0
63 mol 225 unq 5 iso 1 dist 9.88976 9.09424 13.0993 16.5576 9.20561 15.0845 13.3965 9.31373 14.7849 15.3446 numMergedOcc 0
64 mol 225 unq 6 iso 0 dist 9.88976 8.14831 17.2402 12.5593 8.25629 19.8879 13.3965 9.31373 21.1757 12.0157 numMergedOcc 0
65 mol 225 unq 6 iso 1 dist 9.88976 8.14831 17.2402 13.3965 9.31373 21.1757 12.5593 8.25629 19.8879 12.0157 numMergedOcc 0
66 mol 225 unq 7 iso 0 dist 9.88976 8.14831 17.2402 12.5593 8.25629 19.8879 16.5576 9.20561 21.7963 16.718 numMergedOcc 0
67 mol 225 unq 7 iso 1 dist 9.88976 8.14831 17.2402 16.5576 9.20561 21.7963 12.5593 8.25629 19.8879 16.718 numMergedOcc 0
68 mol 225 unq 7 iso 0 dist 9.88976 8.14831 17.2402 13.3965 9.31373 21.1757 16.5576 9.20561 21.7963 15.3446 numMergedOcc 0
69 mol 225 unq 7 iso 1 dist 9.88976 8.14831 17.2402 16.5576 9.20561 21.7963 13.3965 9.31373 21.1757 15.3446 numMergedOcc 0
70 mol 234 unq 0 iso 0 dist 6.35438 7.81215 4.76962 5.88703 7.72403 11.6391 10.2693 9.57132 5.64285 15.2225 numMergedOcc 0
71 mol 234 unq 0 iso 1 dist 6.35438 7.81215 4.76962 10.2693 9.57132 5.64285 5.88703 7.72403 11.6391 15.2225 numMergedOcc 0
72 mol 234 unq 1 iso 0 dist 9.57132 5.64285 4.76962 15.2225 7.72403 11.6391 10.2693 6.35438 7.81215 5.88703 numMergedOcc 0
73 mol 234 unq 1 iso 1 dist 9.57132 5.64285 4.76962 10.2693 6.35438 7.81215 15.2225 7.72403 11.6391 5.88703 numMergedOcc 0
