ATOM 40
1 C1y C 0.0586 0.1517
2 C1y C -0.1897 0.9069
3 C1y C 0.8759 0.1517
4 O2b O -0.5034 -0.8862
5 O2x O 0.4517 1.3759
6 C1b C -0.5759 1.7172
7 C1y C 1.1069 0.8966
8 O1a O 1.3483 -0.4897
9 P1b P -0.5034 -1.6862
10 O2b O -1.3690 1.7172
11 R R 1.8724 1.1414
12 O2b O 1.0862 -1.6965
13 O1c O -0.5000 -2.5586
14 O1c O -1.3000 -1.6862
15 P1b P -2.6379 1.7172
16 C1b C 1.9793 -1.6965
17 O2b O -2.6379 2.5172
18 O1c O -2.6379 0.9172
19 O1c O -3.4276 1.7172
20 C1y C 2.5310 -2.4966
21 C1y C -2.6345 3.3103
22 C1y C 2.7759 -3.2517
23 O2x O 3.1690 -2.0276
24 C1y C -2.8828 4.0655
25 C1y C -1.8207 3.3103
26 C1y C 3.5931 -3.2517
27 O2b O 2.2310 -4.1138
28 C1y C 3.8276 -2.5069
29 O2x O -2.2379 4.5345
30 C1b C -3.2586 4.8448
31 C1y C -1.5862 4.0552
32 O1a O -1.3448 2.6690
33 O1a O 4.0379 -3.9241
34 P1b P 1.4345 -4.1069
35 R R 4.5897 -2.2621
36 O1a O -4.0552 4.8448
37 R R -0.8241 4.3000
38 O1c O 0.6345 -4.1069
39 O1c O 1.4345 -3.3172
40 O1c O 1.4310 -4.9069
BOND 42
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 6 10 1
10 7 11 1 #Up
11 9 12 1
12 9 13 1
13 9 14 2
14 10 15 1
15 12 16 1
16 15 17 1
17 15 18 1
18 15 19 2
19 20 16 1 #Up
20 21 17 1 #Down
21 20 22 1
22 20 23 1
23 21 24 1
24 21 25 1
25 22 26 1
26 22 27 1 #Down
27 23 28 1
28 24 29 1
29 24 30 1 #Up
30 25 31 1
31 25 32 1 #Down
32 26 33 1 #Down
33 27 34 1
34 28 35 1 #Up
35 30 36 1
36 31 37 1 #Up
37 34 38 1
38 34 39 1
39 34 40 2
40 5 7 1
41 26 28 1
42 29 31 1
BRACKET 1 -2.0276 1.3000 -2.0276 2.1483
1 0.2310 -1.2310 0.2310 -2.1000
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 13 14
REPEAT 1
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