ATOM 78
1 C8y C 13.7900 -7.7700
2 C8y C 13.7900 -9.1700
3 C8y C 14.9800 -9.8700
4 C8y C 16.2400 -9.1700
5 C8x C 16.2400 -7.7700
6 C8y C 14.9800 -7.0700
7 C8y C 13.8600 -13.0900
8 C8y C 13.8600 -14.4900
9 C8y C 15.0500 -15.1900
10 C8y C 16.3100 -14.4900
11 C8y C 16.3100 -13.0900
12 C8y C 14.9800 -12.3900
13 C8y C 12.6700 -12.3900
14 O7x O 11.4100 -13.0900
15 C8y C 11.4100 -14.4900
16 C8y C 12.6700 -15.1900
17 C8y C 12.6700 -16.5900
18 C8y C 13.8600 -17.2900
19 O7x O 15.0500 -16.5900
20 C8y C 10.2200 -15.1900
21 C8y C 10.2200 -16.5900
22 C8y C 11.4100 -17.2900
23 O6a O 13.8600 -18.6900
24 O6a O 12.6700 -10.9900
25 O1a O 17.5000 -12.3900
26 O1a O 17.5000 -15.1900
27 O1a O 9.0300 -14.4900
28 O1a O 9.0300 -17.2900
29 C8y C 11.4100 -19.4600
30 C8y C 10.2200 -20.1600
31 C8y C 10.2200 -21.5600
32 C8y C 11.4100 -22.2600
33 C8x C 12.6700 -21.5600
34 C8y C 12.6700 -20.1600
35 O1a O 12.6000 -9.8700
36 O1a O 12.6000 -7.0700
37 O1a O 14.9800 -5.6700
38 O7x O 19.9500 -17.1500
39 C1y C 21.7000 -17.1500
40 C1x C 22.4000 -14.3500
41 O2x O 23.8700 -15.9600
42 C1y C 22.4000 -18.3400
43 C1y C 23.8000 -18.3400
44 C1y C 24.5000 -17.1500
45 C1y C 22.4000 -15.9600
46 O7x O 21.5600 -20.0200
47 O7x O 24.6400 -20.0900
48 O1a O 25.9000 -17.1500
49 C8y C 20.5800 -25.1300
50 C8y C 21.9800 -25.1300
51 C8y C 22.6800 -23.9400
52 C8y C 21.9800 -22.6800
53 C8x C 20.5800 -22.6800
54 C8y C 19.8800 -23.9400
55 C8y C 24.0800 -23.9400
56 C8y C 24.7800 -25.1300
57 C8y C 26.1800 -25.1300
58 C8y C 26.8800 -23.9400
59 C8x C 26.1800 -22.6800
60 C8y C 24.7800 -22.6800
61 O1a O 19.8800 -26.3200
62 O1a O 22.6800 -26.3200
63 O1a O 18.4800 -23.9400
64 O1a O 24.0800 -26.3200
65 O1a O 26.8800 -26.3200
66 O1a O 28.2800 -23.9400
67 C7x C 25.1300 -21.3500
68 C7x C 21.0000 -21.2800
69 O6a O 19.6000 -21.2800
70 O6a O 26.5300 -21.3500
71 O7x O 19.8100 -12.6000
72 C7x C 15.1900 -20.3700
73 C7x C 17.7800 -9.5200
74 O1a O 9.0300 -19.4600
75 O1a O 9.0300 -22.2600
76 O1a O 11.4100 -23.6600
77 O6a O 18.4100 -8.2600
78 O6a O 15.6800 -21.7000
BOND 88
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 7 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 8 16 1
18 16 17 2
19 17 18 1
20 18 19 1
21 9 19 1
22 15 20 2
23 20 21 1
24 21 22 2
25 17 22 1
26 18 23 2
27 13 24 2
28 3 12 1
29 11 25 1
30 10 26 1
31 20 27 1
32 21 28 1
33 22 29 1
34 29 30 2
35 30 31 1
36 31 32 2
37 32 33 1
38 33 34 2
39 29 34 1
40 2 35 1
41 1 36 1
42 6 37 1
43 39 38 1 #Down
44 39 42 1
45 42 43 1
46 43 44 1
47 44 41 1
48 41 45 1
49 39 45 1
50 45 40 1 #Up
51 42 46 1 #Up
52 43 47 1 #Down
53 44 48 1
54 49 50 2
55 50 51 1
56 51 52 2
57 52 53 1
58 53 54 2
59 49 54 1
60 51 55 1
61 55 56 2
62 56 57 1
63 57 58 2
64 58 59 1
65 59 60 2
66 55 60 1
67 49 61 1
68 50 62 1
69 54 63 1
70 56 64 1
71 57 65 1
72 58 66 1
73 60 67 1
74 52 68 1
75 46 68 1
76 68 69 2
77 47 67 1
78 67 70 2
79 40 71 1
80 38 72 1
81 71 73 1
82 4 73 1
83 30 74 1
84 31 75 1
85 32 76 1
86 73 77 2
87 34 72 1
88 72 78 2
| 
