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# Name: APOMORPHI
# Creating user name: martin
# Creation time: Sat Apr 23 14:16:51 1994
# Modifying user name: martin
# Modification time: Sun Apr 21 19:36:29 1996
@<TRIPOS>MOLECULE
APOMORPHI
37 40 1 0 0
SMALL
USER_CHARGES
INVALID_CHARGES
@<TRIPOS>ATOM
1 C1 1.9140 -4.6830 0.8300 C.3 1 <1> -0.5460
2 N2 0.8670 -3.9580 1.5620 N.3 1 <1> -0.1280
3 C3 -0.3940 -4.6980 1.4750 C.3 1 <1> -0.1270
4 C4 -1.4130 -4.1110 2.4520 C.3 1 <1> -0.2720
5 C5 -1.5260 -2.6180 2.3080 C.ar 1 <1> 0.3900
6 C6 -2.6410 -1.9750 2.8470 C.ar 1 <1> -0.2560
7 C7 -2.7620 -0.5910 2.7420 C.ar 1 <1> 0.0015
8 C8 -1.7730 0.1390 2.0905 C.ar 1 <1> -0.3780
9 C9 -0.6480 -0.4840 1.5210 C.ar 1 <1> 0.7470
10 C10 -0.5280 -1.8820 1.6550 C.ar 1 <1> -0.5410
11 C11 0.6850 -2.5790 1.0687 C.3 1 <1> 0.3010
12 C12 1.9040 -1.6910 1.3630 C.3 1 <1> -0.5640
13 C13 1.6880 -0.3210 0.7720 C.ar 1 <1> 0.4680
14 C14 2.7530 0.3380 0.1590 C.ar 1 <1> -0.2540
15 C15 2.5560 1.5920 -0.4140 C.ar 1 <1> -0.2110
16 C16 1.2980 2.1970 -0.3910 C.ar 1 <1> 0.2730
17 O17 1.1140 3.4100 -0.9810 O.3 1 <1> -0.5220
18 C18 0.2240 1.5420 0.2360 C.ar 1 <1> 0.4090
19 O19 -0.9930 2.1480 0.1750 O.3 1 <1> -0.5160
20 C20 0.4160 0.2760 0.8300 C.ar 1 <1> -0.6930
21 H21 2.9170 -4.2310 0.9920 H 1 <1> 0.1700
22 H22 2.0015 -5.7290 1.2050 H 1 <1> 0.1700
23 H23 1.7000 -4.7180 -0.2620 H 1 <1> 0.1560
24 H24 -0.2410 -5.7710 1.7420 H 1 <1> 0.1090
25 H25 -0.7890 -4.6690 0.4300 H 1 <1> 0.0844
26 H26 -2.4060 -4.5930 2.2890 H 1 <1> 0.0843
27 H27 -1.0977 -4.3260 3.5010 H 1 <1> 0.0858
28 H28 -3.4220 -2.5530 3.3690 H 1 <1> 0.0878
29 H29 -3.6330 -0.0785 3.1870 H 1 <1> 0.0726
30 H30 -1.9020 1.2300 2.0783 H 1 <1> 0.1400
31 H31 0.5200 -2.6130 -0.0361 H 1 <1> 0.0705
32 H32 2.8310 -2.1240 0.9270 H 1 <1> 0.1390
33 H33 2.0629 -1.5960 2.4630 H 1 <1> 0.1570
34 H34 3.7540 -0.1220 0.1150 H 1 <1> 0.1100
35 H35 3.3990 2.1070 -0.9050 H 1 <1> 0.1030
36 H36 1.9500 3.7080 -1.3760 H 1 <1> 0.3370
37 H37 -0.9360 2.9190 -0.4130 H 1 <1> 0.3420
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 2 11 1
4 3 4 1
5 4 5 1
6 5 6 ar
7 5 10 ar
8 6 7 ar
9 7 8 ar
10 8 9 ar
11 9 10 ar
12 9 20 1
13 10 11 1
14 11 12 1
15 12 13 1
16 13 14 ar
17 13 20 ar
18 14 15 ar
19 15 16 ar
20 16 17 1
21 16 18 ar
22 18 19 1
23 18 20 ar
24 1 21 1
25 1 22 1
26 1 23 1
27 3 24 1
28 3 25 1
29 4 26 1
30 4 27 1
31 6 28 1
32 7 29 1
33 8 30 1
34 11 31 1
35 12 32 1
36 12 33 1
37 14 34 1
38 15 35 1
39 17 36 1
40 19 37 1
@<TRIPOS>SUBSTRUCTURE
1 **** 1 TEMP 0 **** **** 0 ROOT
Last updated: March 15, 2001
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