ATOM 44
1 C1y C 23.0199 -20.4938
2 C1y C 23.0030 -21.8700
3 O2x O 21.8354 -19.7831
4 C1y C 21.7955 -22.5459
5 O1a O 24.1875 -22.5808
6 C1y C 20.5609 -20.4540
7 C1x C 20.6132 -21.8433
8 O7a O 21.7755 -23.9274
9 C1a C 19.4486 -19.7512
10 C7a C 20.5550 -24.6021
11 C1a C 20.6102 -25.9862
12 O6a O 19.3607 -23.8855
13 C1z C 27.8169 -17.7374
14 C1y C 29.0234 -17.0497
15 C1z C 27.8112 -19.1187
16 C1x C 26.6280 -17.0438
17 C4a C 27.8052 -16.3560
18 C1y C 30.2065 -17.7489
19 C1y C 29.0350 -15.6742
20 C1x C 29.0117 -19.8122
21 C1x C 26.6280 -19.8064
22 O1a O 27.7295 -20.4883
23 C1x C 25.4332 -17.7374
24 O4a O 26.6104 -15.6625
25 C1z C 31.3956 -17.0671
26 C1x C 30.2065 -19.1244
27 C5x C 30.2299 -14.9981
28 O1a O 27.9802 -14.7648
29 C1y C 25.4332 -19.1187
30 C1z C 31.4130 -15.6916
31 C1x C 33.7793 -17.0962
32 O1a O 31.5240 -18.4426
33 O5x O 30.2415 -13.6167
34 O2a O 24.2384 -19.8064
35 C1y C 32.6195 -15.0214
36 C1a C 31.4073 -14.5903
37 C1x C 33.7967 -15.7207
38 C8y C 32.6078 -13.6342
39 C8x C 33.8027 -12.9406
40 C8x C 31.4073 -12.9522
41 C8x C 33.7910 -11.5593
42 O7x O 31.3956 -11.5710
43 C8y C 32.5962 -10.8832
44 O6a O 32.6545 -9.5049
BOND 49
1 8 10 1
2 10 11 1
3 10 12 2
4 6 7 1
5 1 2 1
6 1 3 1
7 2 4 1
8 2 5 1 #Up
9 3 6 1
10 4 7 1
11 4 8 1 #Down
12 13 14 1
13 13 15 1
14 13 16 1
15 13 17 1 #Up
16 14 18 1
17 14 19 1
18 15 20 1
19 15 21 1
20 15 22 1 #Up
21 16 23 1
22 17 24 2
23 18 25 1
24 18 26 1
25 19 27 1
26 19 28 1 #Down
27 21 29 1
28 25 30 1
29 25 31 1
30 25 32 1 #Up
31 27 33 2
32 29 34 1 #Up
33 30 35 1
34 30 36 1 #Up
35 31 37 1
36 35 38 1
37 38 39 1
38 38 40 2
39 39 41 2
40 40 42 1
41 41 43 1
42 43 44 2
43 20 26 1
44 23 29 1
45 27 30 1
46 35 37 1
47 42 43 1
48 6 9 1 #Up
49 1 34 1 #Up
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