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
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# Name: NoName
# Creating user name: stiefni2
# Creation time: 11. 06. 2008 16:58
# Modifying user name: stiefni2
# Modification time: 11. 06. 2008 16:58
# Program: corina 3.40 0006 02.08.2006
@<TRIPOS>MOLECULE
NoName
15 15 0 0 0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
1 C1 -0.0158 1.3145 0.0093 C.ar
2 C2 1.1620 2.0375 0.0019 C.ar
3 C3 2.3711 1.3591 -0.0132 C.ar
4 C4 2.3499 -0.0272 -0.0204 C.ar
5 C5 1.1330 -0.6822 -0.0123 C.ar
6 N6 0.0021 -0.0041 0.0020 N.ar
7 C7 -1.2677 -0.7347 0.0102 C.3
8 H8 -0.9618 1.8354 0.0256 H
9 H9 1.1408 3.1173 0.0075 H
10 H10 3.3072 1.8978 -0.0196 H
11 H11 3.2728 -0.5881 -0.0326 H
12 H12 1.1079 -1.7619 -0.0182 H
13 H13 -1.5728 -0.9214 1.0399 H
14 H14 -2.0313 -0.1418 -0.4932 H
15 H15 -1.1437 -1.6846 -0.5099 H
@<TRIPOS>BOND
1 1 6 ar
2 1 2 ar
3 1 8 1
4 2 3 ar
5 2 9 1
6 3 4 ar
7 3 10 1
8 4 5 ar
9 4 11 1
10 5 6 ar
11 5 12 1
12 6 7 1
13 7 13 1
14 7 14 1
15 7 15 1
# End of record
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