ALIGN 54
1 1:C1y 1:C1y
2 2:C1z 2:C1z
3 3:C1y 3:C1y
4 4:C1z 4:C1z
5 5:C1y 5:C1y
6 6:C1x 6:C1x
7 7:O7a 7:O7a
8 8:C1z 8:C1z
9 9:O7a 9:O7a
10 10:C5x 10:C5x
11 11:C1y 11:C1y
12 12:C1a 12:C1a
13 13:O2x 13:O2x
14 14:C1x 14:C1x
15 15:C7a 15:C7a
16 16:C1z 16:C1z
17 17:C1x 17:C1x
18 18:O1a 18:O1a
19 19:C7a 19:C7a
20 20:C1y 20:C1y
21 21:O5x 21:O5x
22 22:O1a 22:O1a
23 23:C1a 23:C1a
24 24:O6a 24:O6a
25 25:C2y 25:C2y
26 26:C1a 26:C1a
27 27:C1a 27:C1a
28 28:C1y 28:C1y
29 29:C8y 29:C8y
30 30:O6a 30:O6a
31 31:O7a 31:O7a
32 32:C2y 32:C2y
33 33:O7a 33:O7a
34 34:C7a 34:C7a
35 35:C1a 35:C1a
36 36:C7a 36:C7a
37 37:C1a 37:C1a
38 38:O6a 38:O6a
39 39:C1c 39:C1c
40 40:O6a 40:O6a
41 41:C1c 41:C1c #M1
42 42:O1a 42:O1a
43 43:C8y 43:C8y
44 44:N1b 44:N1a #R1
45 45:C8x 45:C8x
46 46:C8x 46:C8x
47 48:C8x 47:C8x
48 49:C8x 48:C8x
49 52:C8x 49:C8x
50 58:C8x 50:C8x
51 59:C8x 51:C8x
52 60:C8x 52:C8x
53 61:C8x 53:C8x
54 62:C8x 54:C8x
- 47:C5a * #D1
ENTRY1
COMPOUND
C07394
ATOM 62
1 C1y C 27.9885 -9.8660
2 C1z C 29.1081 -10.4957
3 C1y C 27.1489 -10.7056
4 C1z C 27.9885 -8.5365
5 C1y C 30.2276 -9.8660
6 C1x C 30.2276 -11.2654
7 O7a O 29.1081 -11.8951
8 C1z C 24.6999 -10.7056
9 O7a O 27.2189 -13.0147
10 C5x C 26.3092 -7.4869
11 C1y C 29.1081 -7.9068
12 C1a C 28.0585 -6.5073
13 O2x O 31.2772 -10.5657
14 C1x C 30.2276 -8.5365
15 C7a C 30.2976 -12.5948
16 C1z C 24.6999 -9.4461
17 C1x C 23.5803 -11.3354
18 O1a O 24.6299 -11.9651
19 C7a C 26.0293 -13.6444
20 C1y C 23.5803 -7.4869
21 O5x O 26.3092 -6.0875
22 O1a O 29.1081 -6.7872
23 C1a C 31.4871 -11.8951
24 O6a O 30.2976 -13.9943
25 C2y C 23.5803 -8.7464
26 C1a C 25.5395 -8.3966
27 C1a C 25.6795 -9.9359
28 C1y C 22.4608 -10.7056
29 C8y C 26.0993 -14.9039
30 O6a O 24.9798 -12.9447
31 O7a O 22.4608 -6.8572
32 C2y C 22.4608 -9.4461
33 O7a O 20.9914 -11.4753
34 C7a C 22.4608 -5.5277
35 C1a C 21.3413 -8.7464
36 C7a C 19.8019 -10.7756
37 C1a C 23.5803 -4.8980
38 O6a O 21.3413 -4.8980
39 C1c C 18.6124 -11.4753
40 O6a O 19.8019 -9.4461
41 C1c C 17.4928 -10.7756
42 O1a O 18.6124 -12.8048
43 C8y C 16.3033 -11.4753
44 N1b N 17.4928 -9.4461
45 C8x C 15.1838 -10.7756
46 C8x C 16.3033 -12.8048
47 C5a C 16.3033 -8.7464
48 C8x C 13.9943 -11.4753
49 C8x C 15.1838 -13.5045
50 C8y C 16.3033 -7.4170
51 O5a O 15.1838 -9.4461
52 C8x C 13.9943 -12.8048
53 C8x C 15.1838 -6.7872
54 C8x C 17.4928 -6.7872
55 C8x C 15.1838 -5.3878
56 C8x C 17.4928 -5.3878
57 C8x C 16.3033 -4.7581
58 C8x C 24.8398 -15.6036
59 C8x C 24.8398 -17.0030
60 C8x C 26.0293 -17.7028
61 C8x C 27.2888 -17.0030
62 C8x C 27.2888 -15.6036
BOND 68
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 2 7 1 #Down
7 3 8 1
8 3 9 1 #Down
9 4 10 1
10 4 11 1
11 4 12 1 #Up
12 5 13 1 #Up
13 5 14 1
14 7 15 1
15 8 16 1
16 8 17 1
17 8 18 1 #Up
18 9 19 1
19 10 20 1
20 10 21 2
21 11 22 1 #Up
22 15 23 1
23 15 24 2
24 16 25 1
25 16 26 1
26 16 27 1
27 17 28 1
28 19 29 1
29 19 30 2
30 20 31 1 #Up
31 25 32 2
32 28 33 1 #Down
33 31 34 1
34 32 35 1
35 33 36 1
36 34 37 1
37 34 38 2
38 36 39 1
39 36 40 2
40 39 41 1
41 39 42 1 #Down
42 41 43 1
43 41 44 1 #Down
44 43 45 2
45 43 46 1
46 44 47 1
47 45 48 1
48 46 49 2
49 47 50 1
50 47 51 2
51 48 52 2
52 50 53 1
53 50 54 2
54 53 55 2
55 54 56 1
56 55 57 1
57 6 13 1
58 11 14 1
59 20 25 1
60 28 32 1
61 49 52 1
62 56 57 2
63 29 58 2
64 58 59 1
65 59 60 2
66 60 61 1
67 61 62 2
68 29 62 1
ENTRY2
COMPOUND
C16524
ATOM 54
1 C1y C 27.9566 -9.8054
2 C1z C 29.0693 -10.4312
3 C1y C 27.1221 -10.6398
4 C1z C 27.9566 -8.4841
5 C1y C 30.1819 -9.8054
6 C1x C 30.1819 -11.1962
7 O7a O 29.0693 -11.8221
8 C1z C 24.6881 -10.6398
9 O7a O 27.1916 -12.9347
10 C5x C 26.2876 -7.4409
11 C1y C 29.0693 -7.8582
12 C1a C 28.0261 -6.4674
13 O2x O 31.2250 -10.5008
14 C1x C 30.1819 -8.4841
15 C7a C 30.2515 -12.5175
16 C1z C 24.6881 -9.3881
17 C1x C 23.5755 -11.2657
18 O1a O 24.6186 -11.8916
19 C7a C 26.0094 -13.5606
20 C1y C 23.5755 -7.4409
21 O5x O 26.2876 -6.0501
22 O1a O 29.0693 -6.7455
23 C1a C 31.4337 -11.8221
24 O6a O 30.2515 -13.9083
25 C2y C 23.5755 -8.6927
26 C1a C 25.5226 -8.3450
27 C1a C 25.6617 -9.8749
28 C1y C 22.4628 -10.6398
29 C8y C 26.0790 -14.8123
30 O6a O 24.9663 -12.8652
31 O7a O 22.4628 -6.8151
32 C2y C 22.4628 -9.3881
33 O7a O 21.0024 -11.4048
34 C7a C 22.4628 -5.4938
35 C1a C 21.3502 -8.6927
36 C7a C 19.8202 -10.7094
37 C1a C 23.5755 -4.8679
38 O6a O 21.3502 -4.8679
39 C1c C 18.6380 -11.4048
40 O6a O 19.8202 -9.3881
41 C1c C 17.5254 -10.7094
42 O1a O 18.6380 -12.7261
43 C8y C 16.3432 -11.4048
44 N1a N 17.5254 -9.3881
45 C8x C 15.2305 -10.7094
46 C8x C 16.3432 -12.7261
47 C8x C 14.0483 -11.4048
48 C8x C 15.2305 -13.4215
49 C8x C 14.0483 -12.7261
50 C8x C 24.8272 -15.5078
51 C8x C 24.8272 -16.8986
52 C8x C 26.0094 -17.5940
53 C8x C 27.2612 -16.8986
54 C8x C 27.2612 -15.5078
BOND 59
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 2 7 1 #Down
7 3 8 1
8 3 9 1 #Down
9 4 10 1
10 4 11 1
11 4 12 1 #Up
12 5 13 1 #Up
13 5 14 1
14 7 15 1
15 8 16 1
16 8 17 1
17 8 18 1 #Up
18 9 19 1
19 10 20 1
20 10 21 2
21 11 22 1 #Up
22 15 23 1
23 15 24 2
24 16 25 1
25 16 26 1
26 16 27 1
27 17 28 1
28 19 29 1
29 19 30 2
30 20 31 1 #Up
31 25 32 2
32 28 33 1 #Down
33 31 34 1
34 32 35 1
35 33 36 1
36 34 37 1
37 34 38 2
38 36 39 1
39 36 40 2
40 39 41 1
41 39 42 1 #Down
42 41 43 1
43 41 44 1 #Down
44 43 45 2
45 43 46 1
46 45 47 1
47 46 48 2
48 47 49 2
49 6 13 1
50 11 14 1
51 20 25 1
52 28 32 1
53 48 49 1
54 29 50 2
55 50 51 1
56 51 52 2
57 52 53 1
58 53 54 2
59 29 54 1
