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# Name: 271TRPR
# 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
271TRPR
42 44 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 3.1320 -7.5050 1.9560 C.3 1 <1> -0.2430
2 C2 1.8750 -6.6250 2.0387 C.3 1 <1> 0.0275
3 C3 2.0799 -5.2700 1.3340 C.3 1 <1> 0.0014
4 N4 1.0292 -4.2600 1.5620 N.3 1 <1> -0.3850
5 C5 -0.3040 -4.8080 1.2720 C.3 1 <1> 0.0550
6 C6 -1.4300 -3.8060 1.5500 C.3 1 <1> -0.1560
7 C7 -1.1960 -2.4920 0.8010 C.3 1 <1> -0.2180
8 C8 0.1980 -1.9480 1.1540 C.3 1 <1> 0.2060
9 C9 1.2480 -3.0228 0.7770 C.3 1 <1> -0.1650
10 C10 2.6470 -2.4010 0.9400 C.3 1 <1> -0.0418
11 C11 2.8310 -1.2540 -0.0604 C.3 1 <1> -0.2190
12 C12 1.7100 -0.2540 -0.0062 C.ar 1 <1> 0.1840
13 C13 1.9250 1.0248 -0.5280 C.ar 1 <1> -0.3220
14 C14 0.9460 2.0214 -0.4920 C.ar 1 <1> 0.2880
15 O15 1.1890 3.2580 -1.0057 O.3 1 <1> -0.5200
16 C16 -0.2850 1.7230 0.1030 C.ar 1 <1> 0.3330
17 O17 -1.2590 2.6720 0.1810 O.3 1 <1> -0.5050
18 C18 -0.4900 0.4400 0.6230 C.ar 1 <1> -0.3210
19 C19 0.4740 -0.5730 0.5660 C.ar 1 <1> -0.1390
20 H20 4.0000 -7.0230 2.4620 H 1 <1> 0.0710
21 H21 3.4160 -7.7010 0.8970 H 1 <1> 0.0605
22 H22 2.9630 -8.4910 2.4500 H 1 <1> 0.0472
23 H23 1.0413 -7.1950 1.5630 H 1 <1> 0.0325
24 H24 1.6140 -6.4570 3.1110 H 1 <1> 0.0469
25 H25 3.0386 -4.8810 1.7440 H 1 <1> 0.0528
26 H26 2.2120 -5.4460 0.2390 H 1 <1> 0.0625
27 H27 -0.5120 -5.6910 1.9200 H 1 <1> 0.0264
28 H28 -0.3550 -5.1470 0.2090 H 1 <1> 0.0466
29 H29 -2.4150 -4.2440 1.2570 H 1 <1> 0.0657
30 H30 -1.4770 -3.6020 2.6470 H 1 <1> 0.0728
31 H31 -2.0162 -1.7950 1.0903 H 1 <1> 0.0715
32 H32 -1.2730 -2.6530 -0.3000 H 1 <1> 0.0923
33 H33 0.2450 -1.8000 2.2600 H 1 <1> 0.0688
34 H34 1.1330 -3.2690 -0.3050 H 1 <1> 0.1420
35 H35 2.7780 -2.0385 1.9870 H 1 <1> 0.0660
36 H36 3.4690 -3.1220 0.7300 H 1 <1> 0.0468
37 H37 2.8760 -1.6570 -1.1000 H 1 <1> 0.0698
38 H38 3.8050 -0.7480 0.1430 H 1 <1> 0.0723
39 H39 2.8990 1.2650 -0.9830 H 1 <1> 0.1050
40 H40 2.0992 3.2930 -1.3450 H 1 <1> 0.3410
41 H41 -0.9280 3.4950 -0.2150 H 1 <1> 0.3350
42 H42 -1.4610 0.2550 1.1050 H 1 <1> 0.1460
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 9 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 1
13 11 12 1
14 12 13 ar
15 12 19 ar
16 13 14 ar
17 14 15 1
18 14 16 ar
19 16 17 1
20 16 18 ar
21 18 19 ar
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 10 35 1
38 10 36 1
39 11 37 1
40 11 38 1
41 13 39 1
42 15 40 1
43 17 41 1
44 18 42 1
@<TRIPOS>SUBSTRUCTURE
1 **** 1 TEMP 0 **** **** 0 ROOT
ast updated: March 15, 2001
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