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 61 62 63 64 65 66 67
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# Name: NoName
# Creating user name: stiefni2
# Creation time: 13. 06. 2008 16:18
# Modifying user name: stiefni2
# Modification time: 13. 06. 2008 16:18
# Program: corina 3.40 0006 02.08.2006
@<TRIPOS>MOLECULE
NoName
22 24 0 0 0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
1 C1 -0.0178 1.4623 0.0101 C.ar
2 C2 -1.2649 2.1236 0.0197 C.ar
3 C3 -2.4097 1.3942 0.0212 C.ar
4 C4 -2.3907 -0.0011 0.0141 C.ar
5 C5 -1.2266 -0.6991 0.0052 C.ar
6 C6 0.0021 -0.0041 0.0020 C.ar
7 C7 1.2159 -0.6885 -0.0077 C.ar
8 C8 2.4113 0.0286 -0.0110 C.ar
9 N9 3.5952 -0.6051 -0.0209 N.ar
10 C10 4.7038 0.0937 -0.0242 C.ar
11 C11 4.6849 1.4923 -0.0172 C.ar
12 N12 3.5577 2.1607 -0.0071 N.ar
13 C13 2.3914 1.4952 -0.0043 C.ar
14 C14 1.1770 2.1795 0.0025 C.ar
15 H15 -1.3080 3.2027 0.0260 H
16 H16 -3.3601 1.9071 0.0286 H
17 H17 -3.3268 -0.5398 0.0161 H
18 H18 -1.2403 -1.7790 -0.0001 H
19 H19 1.2304 -1.7684 -0.0122 H
20 H20 5.6529 -0.4217 -0.0321 H
21 H21 5.6197 2.0332 -0.0198 H
22 H22 1.1622 3.2594 0.0059 H
@<TRIPOS>BOND
1 1 6 ar
2 1 14 ar
3 1 2 ar
4 2 3 ar
5 2 15 1
6 3 4 ar
7 3 16 1
8 4 5 ar
9 4 17 1
10 5 6 ar
11 5 18 1
12 6 7 ar
13 7 8 ar
14 7 19 1
15 8 13 ar
16 8 9 ar
17 9 10 ar
18 10 11 ar
19 10 20 1
20 11 12 ar
21 11 21 1
22 12 13 ar
23 13 14 ar
24 14 22 1
# End of record
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