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# Name: TL304M
# Creating user name: martin
# Creation time: Sat Apr 23 14:16:55 1994
# Modifying user name: martin
# Modification time: Sun Apr 21 19:36:31 1996
@<TRIPOS>MOLECULE
TL304M
42 44 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -2.2500 -5.7400 0.0200 C.3 1 <1> -0.3980
2 C2 -0.8600 -5.0900 -0.0400 C.3 1 <1> 0.1900
3 C3 -0.3200 -4.8000 1.3700 C.3 1 <1> -0.1740
4 N4 1.0500 -4.2500 1.4600 N.3 1 <1> -0.3380
5 C5 2.0400 -5.2700 1.1100 C.3 1 <1> -0.1200
6 C6 3.4700 -4.7800 1.3900 C.3 1 <1> -0.1270
7 C7 3.7400 -3.5200 0.5700 C.3 1 <1> -0.2400
8 C8 2.6800 -2.4600 0.8600 C.3 1 <1> 0.3230
9 C9 2.9000 -1.2500 -0.0600 C.3 1 <1> -0.6110
10 C10 1.7900 -0.2300 0.0000 C.ar 1 <1> 0.2710
11 C11 1.9900 1.0400 -0.5400 C.ar 1 <1> -0.3650
12 C12 1.0000 2.0200 -0.5300 C.ar 1 <1> 0.3040
13 O13 1.2300 3.2500 -1.0700 O.3 1 <1> -0.5040
14 C14 -0.2400 1.7200 0.0500 C.ar 1 <1> 0.2530
15 O15 -1.2300 2.6600 0.0800 O.3 1 <1> -0.4850
16 C16 -0.4400 0.4500 0.5800 C.ar 1 <1> -0.2150
17 C17 0.5500 -0.5400 0.5600 C.ar 1 <1> -0.1150
18 C18 0.2600 -1.9000 1.1300 C.3 1 <1> -0.0078
19 C19 1.2500 -3.0000 0.7000 C.3 1 <1> 0.0196
20 H20 -2.2100 -6.7200 0.5500 H 1 <1> 0.0955
21 H21 -2.6400 -5.9300 -1.0100 H 1 <1> 0.0929
22 H22 -2.9800 -5.0900 0.5500 H 1 <1> 0.1030
23 H23 -0.1700 -5.7700 -0.5900 H 1 <1> 0.0015
24 H24 -0.9400 -4.1500 -0.6300 H 1 <1> -0.0055
25 H25 -0.3700 -5.7400 1.9700 H 1 <1> 0.1140
26 H26 -1.0200 -4.1100 1.9000 H 1 <1> 0.0518
27 H27 1.9600 -5.5500 0.0300 H 1 <1> 0.0965
28 H28 1.8700 -6.1900 1.7100 H 1 <1> 0.0923
29 H29 4.2100 -5.5800 1.1400 H 1 <1> 0.0645
30 H30 3.5800 -4.5600 2.4800 H 1 <1> 0.0666
31 H31 4.7600 -3.1300 0.8000 H 1 <1> 0.0713
32 H32 3.7300 -3.7900 -0.5100 H 1 <1> 0.0875
33 H33 2.8000 -2.1300 1.9300 H 1 <1> 0.0247
34 H34 2.9700 -1.5900 -1.1200 H 1 <1> 0.1530
35 H35 3.8700 -0.7600 0.2000 H 1 <1> 0.1490
36 H36 2.9700 1.2900 -1.0000 H 1 <1> 0.1330
37 H37 2.1300 3.2900 -1.4200 H 1 <1> 0.3300
38 H38 -0.9200 3.4700 -0.3500 H 1 <1> 0.3300
39 H39 -1.4200 0.2100 1.0300 H 1 <1> 0.1020
40 H40 0.2700 -1.8100 2.2500 H 1 <1> 0.0435
41 H41 -0.7800 -2.1800 0.8200 H 1 <1> 0.0853
42 H42 1.1100 -3.2100 -0.3900 H 1 <1> 0.0576
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 19 1
6 5 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 8 19 1
11 9 10 1
12 10 11 ar
13 10 17 ar
14 11 12 ar
15 12 13 1
16 12 14 ar
17 14 15 1
18 14 16 ar
19 16 17 ar
20 17 18 1
21 18 19 1
22 1 20 1
23 1 21 1
24 1 22 1
25 2 23 1
26 2 24 1
27 3 25 1
28 3 26 1
29 5 27 1
30 5 28 1
31 6 29 1
32 6 30 1
33 7 31 1
34 7 32 1
35 8 33 1
36 9 34 1
37 9 35 1
38 11 36 1
39 13 37 1
40 15 38 1
41 16 39 1
42 18 40 1
43 18 41 1
44 19 42 1
@<TRIPOS>SUBSTRUCTURE
1 **** 1 TEMP 0 **** **** 0 ROOT
Last updated: March 15, 2001
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