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CD School House 9
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CD School House 9.0 - Wayzata Technology (1994).iso
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School House
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Science
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Ball & Stick Demo
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internal.example
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1987-04-18
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2KB
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34 lines
iBILATRIENE (example of internal coordinate format)
28 (some residues were deleted to get below the 32 atoms limit of the demo)
1.25 1.45 129.00 O C C
1 2 3 4 1.34 109.00 180.00 C
2 3 4 5 1.47 108.00 0.00 C
3 4 5 6 1.34 127.00 180.00 C
4 5 6 7 1.47 130.00 180.00 C
5 6 7 8 1.48 124.00 200.00 C
6 7 8 9 1.33 107.00 180.00 C
7 8 9 10 1.46 106.00 0.00 C
8 9 10 11 1.47 127.00 180.00 C
9 10 11 12 1.34 130.00 190.00 C
10 11 12 13 1.47 127.00 180.00 C
11 12 13 14 1.34 107.00 180.00 C
12 13 14 15 1.47 106.00 0.00 C
13 14 15 16 1.47 124.00 180.00 C
14 15 16 17 1.34 130.00 200.00 C
15 16 17 18 1.47 127.00 180.00 C
16 17 18 19 1.34 107.00 180.00 C
17 18 19 20 1.45 109.00 0.00 C
18 19 20 21 1.25 129.00 180.00 O
4 3 2 22 1.39 112.00 0.00 N
8 9 10 23 1.42 111.00 0.00 N
13 14 15 24 1.35 109.00 0.00 N
18 19 20 25 1.39 112.00 0.00 N
3 2 22 26 0.99 122.00 180.00 H
9 10 23 27 0.99 122.00 180.00 H
19 20 25 28 0.99 122.00 180.00 H
4 (additional ring closing bonds)
5 22
7 23
12 24
17 25