ATOM 76
1 C1y C 16.7985 -21.3334
2 C1x C 15.6685 -20.4153
3 C2x C 14.3267 -20.7684
4 C2x C 13.6910 -21.9690
5 C1y C 16.7985 -22.6753
6 C1y C 14.3267 -23.2402
7 O2x O 15.6685 -23.5227
8 O2x O 17.9991 -20.6272
9 C1y C 19.2703 -21.3334
10 C1y C 19.2703 -22.6753
11 C1y C 17.9991 -23.3815
12 C1x C 20.4709 -20.6272
13 C1y C 21.6715 -21.3334
14 C1y C 21.6715 -22.6753
15 O2x O 20.4709 -23.3815
16 C2x C 22.4484 -23.5934
17 C2x C 23.6490 -23.5934
18 C1y C 24.2140 -22.5340
19 C1y C 24.2140 -21.3334
20 O2x O 23.0134 -20.6272
21 O1a O 17.9991 -24.7940
22 C2b C 13.1261 -23.9465
23 C2b C 11.8548 -23.2402
24 C2b C 10.6542 -23.9465
25 C2a C 9.4536 -23.2402
26 O2x O 25.4146 -23.2402
27 C1y C 26.6858 -22.5340
28 C1y C 26.6858 -21.3334
29 C2x C 24.9202 -20.1328
30 C2x C 26.1208 -20.1328
31 C1x C 27.8864 -23.2402
32 C2x C 29.0870 -22.5340
33 O2x O 29.0870 -21.3334
34 C2x C 30.3583 -23.2402
35 C1x C 31.5589 -22.5340
36 C1y C 31.5589 -21.3334
37 C1y C 30.3583 -20.6272
38 O2x O 32.7595 -20.6272
39 C1y C 32.7595 -19.2147
40 C1z C 31.5589 -18.5084
41 C1x C 34.0307 -18.5084
42 C1y C 34.0215 -17.0355
43 C1y C 32.8224 -16.2128
44 O2x O 31.5589 -17.0960
45 C1x C 29.6520 -19.6384
46 C1y C 30.3583 -18.3672
47 C1x C 32.8269 -14.5380
48 C1y C 35.9059 -14.4908
49 C1y C 35.9246 -15.8868
50 O2x O 35.2427 -17.0219
51 C1x C 37.1572 -16.5766
52 C1y C 38.3709 -15.8540
53 C1y C 38.3522 -14.4580
54 O2x O 37.1196 -13.7682
55 O2x O 39.6034 -16.5438
56 C1y C 40.8172 -15.8213
57 C1y C 40.7985 -14.4252
58 C1y C 39.0584 -13.2348
59 C1y C 40.2590 -13.2348
60 C1y C 42.0498 -16.5110
61 C1y C 43.2634 -15.7885
62 C1z C 43.3153 -14.3924
63 O2x O 42.0121 -13.7026
64 C1x C 44.5851 -14.9586
65 C1x C 45.5158 -13.9260
66 C1x C 44.8213 -12.7216
67 O2x O 43.4614 -13.0100
68 C1a C 44.4767 -16.5083
69 C1a C 42.0685 -17.9434
70 C1a C 31.8414 -19.9209
71 O1a O 29.7145 -17.1100
72 C1y C 33.8256 -13.5392
73 C1x C 35.2381 -13.5392
74 C1a C 33.2930 -12.2538
75 C1a C 38.3389 -11.9883
76 O1a O 41.0311 -12.0377
BOND 88
1 3 4 2
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 1 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 5 11 1
13 9 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 10 15 1
18 17 18 1
19 18 19 1
20 16 17 2
21 13 20 1
22 14 16 1
23 19 20 1
24 11 21 1 #Down
25 6 22 1 #Up
26 22 23 2
27 23 24 1
28 24 25 2
29 18 26 1
30 26 27 1
31 27 28 1
32 19 29 1
33 29 30 2
34 30 28 1
35 27 31 1
36 31 32 1
37 28 33 1
38 32 34 2
39 34 35 1
40 35 36 1
41 36 37 1
42 33 37 1
43 36 38 1
44 38 39 1
45 39 40 1
46 39 41 1
47 41 42 1
48 43 44 1
49 40 44 1
50 37 45 1
51 45 46 1
52 46 40 1
53 48 49 1
54 47 43 1
55 49 50 1
56 50 42 1
57 43 42 1
58 49 51 1
59 51 52 1
60 52 53 1
61 53 54 1
62 48 54 1
63 52 55 1
64 55 56 1
65 56 57 1
66 53 58 1
67 58 59 1
68 59 57 1
69 56 60 1
70 60 61 1
71 61 62 1
72 62 63 1
73 57 63 1
74 62 64 1 #Up
75 64 65 1
76 65 66 1
77 66 67 1
78 62 67 1 #Down
79 61 68 1 #Up
80 60 69 1 #Down
81 40 70 1 #Up
82 46 71 1 #Up
83 47 72 1
84 72 73 1
85 73 48 1
86 72 74 1 #Down
87 58 75 1 #Up
88 59 76 1 #Down
| 
