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 53 54 55 56 57 58 59 60
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# Name: NoName
# Creating user name: stiefni2
# Creation time: 18. 07. 2008 11:16
# Modifying user name: stiefni2
# Modification time: 18. 07. 2008 11:16
# Program: corina 3.40 0006 02.08.2006
@<TRIPOS>MOLECULE
NoName
19 20 0 0 0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
1 C1 -0.0170 1.4008 0.0097 C.ar
2 C2 -1.2427 2.0716 0.0301 C.ar
3 C3 -2.4083 1.3594 0.0424 C.ar
4 C4 -2.3900 -0.0283 0.0352 C.ar
5 C5 -1.1926 -0.7111 0.0151 C.ar
6 C6 0.0021 -0.0041 0.0020 C.ar
7 N7 1.3339 -0.3670 -0.0183 N.pl3
8 H8 1.6831 -1.2719 -0.0277 H
9 C9 2.0657 0.7798 -0.0228 C.cat
10 N10 1.2765 1.8139 -0.0004 N.pl3
11 C11 1.7162 3.2114 0.0024 C.3
12 H12 -1.2684 3.1513 0.0366 H
13 H13 -3.3536 1.8814 0.0581 H
14 H14 -3.3202 -0.5769 0.0458 H
15 H15 -1.1840 -1.7911 0.0097 H
16 H16 3.1447 0.8251 -0.0377 H
17 H17 1.8069 3.5658 -1.0244 H
18 H18 0.9856 3.8211 0.5341 H
19 H19 2.6832 3.2870 0.4996 H
@<TRIPOS>BOND
1 1 6 ar
2 1 10 1
3 1 2 ar
4 2 3 ar
5 2 12 1
6 3 4 ar
7 3 13 1
8 4 5 ar
9 4 14 1
10 5 6 ar
11 5 15 1
12 6 7 1
13 7 8 1
14 7 9 ar
15 9 10 ar
16 9 16 1
17 10 11 1
18 11 17 1
19 11 18 1
20 11 19 1
# End of record
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