1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52
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# Name: NoName
# Creating user name: stiefni2
# Creation time: 12. 06. 2008 13:55
# Modifying user name: stiefni2
# Modification time: 12. 06. 2008 13:55
# Program: corina 3.40 0006 02.08.2006
@<TRIPOS>MOLECULE
NoName
16 15 0 0 0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
1 C1 -0.0187 1.5258 0.0104 C.3
2 C2 0.0021 -0.0041 0.0020 C.3
3 C3 0.7182 -0.4975 -1.2568 C.3
4 H4 1.7408 -0.1202 -1.2645 H
5 C5 0.7389 -2.0273 -1.2652 C.3
6 C6 1.4551 -2.5208 -2.5240 C.3
7 H7 1.0039 1.9031 0.0027 H
8 H8 -0.5459 1.8868 -0.8726 H
9 H9 -0.5289 1.8773 0.9072 H
10 H10 0.5293 -0.3651 0.8851 H
11 H11 -1.0205 -0.3814 0.0098 H
12 H12 1.2661 -2.3884 -0.3821 H
13 H13 -0.2837 -2.4046 -1.2574 H
14 H14 0.9279 -2.1597 -3.4070 H
15 H15 2.4777 -2.1435 -2.5317 H
16 H16 1.4698 -3.6107 -2.5299 H
@<TRIPOS>BOND
1 1 2 1
2 1 7 1
3 1 8 1
4 1 9 1
5 2 3 1
6 2 10 1
7 2 11 1
8 3 4 1
9 3 5 1
10 5 6 1
11 5 12 1
12 5 13 1
13 6 14 1
14 6 15 1
15 6 16 1
# End of record
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