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# Name: 2OHAPO
# 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
2OHAPO
38 41 1 0 0
SMALL
USER_CHARGES
INVALID_CHARGES
@<TRIPOS>ATOM
1 C1 1.9140 -4.6830 0.8300 C.3 1 <1> -0.5420
2 N2 0.8670 -3.9580 1.5620 N.3 1 <1> -0.1420
3 C3 -0.3940 -4.6980 1.4750 C.3 1 <1> -0.1070
4 C4 -1.4130 -4.1110 2.4520 C.3 1 <1> -0.2780
5 C5 -1.5260 -2.6180 2.3080 C.ar 1 <1> 0.4830
6 C6 -2.6410 -1.9750 2.8470 C.ar 1 <1> -0.4680
7 C7 -2.7620 -0.5910 2.7420 C.ar 1 <1> 0.5180
8 O8 -3.8900 0.0732 3.3180 O.3 1 <1> -0.5180
9 C9 -1.7730 0.1390 2.0905 C.ar 1 <1> -0.5380
10 C10 -0.6480 -0.4840 1.5210 C.ar 1 <1> 0.7080
11 C11 -0.5280 -1.8820 1.6550 C.ar 1 <1> -0.6260
12 C12 0.6850 -2.5790 1.0687 C.3 1 <1> 0.3380
13 C13 1.9040 -1.6910 1.3630 C.3 1 <1> -0.6000
14 C14 1.6880 -0.3210 0.7720 C.ar 1 <1> 0.4030
15 C15 2.7530 0.3380 0.1590 C.ar 1 <1> -0.2150
16 C16 2.5560 1.5920 -0.4140 C.ar 1 <1> -0.2440
17 C17 1.2980 2.1970 -0.3910 C.ar 1 <1> 0.3000
18 O18 1.1140 3.4100 -0.9810 O.3 1 <1> -0.5220
19 C19 0.2240 1.5420 0.2360 C.ar 1 <1> 0.3450
20 O20 -0.9930 2.1480 0.1750 O.3 1 <1> -0.5050
21 C21 0.4160 0.2760 0.8300 C.ar 1 <1> -0.5530
22 H22 2.9170 -4.2310 0.9920 H 1 <1> 0.1680
23 H23 2.0015 -5.7290 1.2050 H 1 <1> 0.1710
24 H24 1.7000 -4.7180 -0.2620 H 1 <1> 0.1530
25 H25 -0.2410 -5.7710 1.7420 H 1 <1> 0.1030
26 H26 -0.7890 -4.6690 0.4300 H 1 <1> 0.0795
27 H27 -2.4060 -4.5930 2.2890 H 1 <1> 0.0860
28 H28 -1.0977 -4.3260 3.5010 H 1 <1> 0.0872
29 H29 -3.4220 -2.5530 3.3690 H 1 <1> 0.1360
30 H30 -3.7450 1.0029 3.2710 H 1 <1> 0.3250
31 H31 -1.9020 1.2300 2.0783 H 1 <1> 0.1610
32 H32 0.5200 -2.6130 -0.0361 H 1 <1> 0.0714
33 H33 2.8310 -2.1240 0.9270 H 1 <1> 0.1510
34 H34 2.0629 -1.5960 2.4630 H 1 <1> 0.1740
35 H35 3.7540 -0.1220 0.1150 H 1 <1> 0.1070
36 H36 3.3990 2.1070 -0.9050 H 1 <1> 0.1100
37 H37 1.9500 3.7080 -1.3760 H 1 <1> 0.3370
38 H38 -0.9360 2.9190 -0.4130 H 1 <1> 0.3410
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 2 12 1
4 3 4 1
5 4 5 1
6 5 6 ar
7 5 11 ar
8 6 7 ar
9 7 8 1
10 7 9 ar
11 9 10 ar
12 10 11 ar
13 10 21 1
14 11 12 1
15 12 13 1
16 13 14 1
17 14 15 ar
18 14 21 ar
19 15 16 ar
20 16 17 ar
21 17 18 1
22 17 19 ar
23 19 20 1
24 19 21 ar
25 1 22 1
26 1 23 1
27 1 24 1
28 3 25 1
29 3 26 1
30 4 27 1
31 4 28 1
32 6 29 1
33 8 30 1
34 9 31 1
35 12 32 1
36 13 33 1
37 13 34 1
38 15 35 1
39 16 36 1
40 18 37 1
41 20 38 1
@<TRIPOS>SUBSTRUCTURE
1 **** 1 TEMP 0 **** **** 0 ROOT
Last updated: March 15, 2001
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