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# Name: SKF38393
# Creating user name: martin
# Creation time: Sat Apr 23 14:16:54 1994
# Modifying user name: martin
# Modification time: Sun Apr 21 19:36:30 1996
@<TRIPOS>MOLECULE
SKF38393
36 38 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 O1 1.2720 2.7140 -0.8030 O.3 1 <1> -0.5070
2 C2 0.8450 1.6360 -0.0904 C.ar 1 <1> 0.2900
3 C3 1.7230 0.5980 0.2360 C.ar 1 <1> -0.2500
4 C4 1.3280 -0.5180 0.9820 C.ar 1 <1> -0.0589
5 C5 2.3590 -1.5560 1.3560 C.3 1 <1> -0.1530
6 C6 2.0792 -2.9160 0.7090 C.3 1 <1> -0.0128
7 N7 1.0620 -3.7020 1.4040 N.3 1 <1> -0.5830
8 C8 -0.2860 -3.1340 1.3730 C.3 1 <1> -0.0733
9 C9 -0.4670 -1.8400 2.1900 C.3 1 <1> 0.0280
10 C10 -1.9000 -1.7140 2.6860 C.ar 1 <1> 0.2760
11 C11 -2.9860 -1.9620 1.8370 C.ar 1 <1> -0.1160
12 C12 -4.2990 -1.8410 2.2970 C.ar 1 <1> -0.0860
13 C13 -4.5450 -1.4660 3.6180 C.ar 1 <1> -0.1160
14 C14 -3.4720 -1.2080 4.4730 C.ar 1 <1> -0.0067
15 C15 -2.1610 -1.3290 4.0071 C.ar 1 <1> -0.2690
16 C16 0.0041 -0.6140 1.4280 C.ar 1 <1> 0.0833
17 C17 -0.8590 0.4520 1.1420 C.ar 1 <1> -0.3690
18 C18 -0.4690 1.5770 0.4060 C.ar 1 <1> 0.3180
19 O19 -1.3460 2.5880 0.1540 O.3 1 <1> -0.4990
20 H20 2.2430 2.7170 -0.8310 H 1 <1> 0.3230
21 H21 2.7650 0.6790 -0.1150 H 1 <1> 0.1180
22 H22 3.3710 -1.2140 1.0356 H 1 <1> 0.0606
23 H23 2.4220 -1.6510 2.4640 H 1 <1> 0.1070
24 H24 1.8100 -2.7980 -0.3660 H 1 <1> 0.0795
25 H25 3.0198 -3.5160 0.7370 H 1 <1> 0.0681
26 H26 1.0340 -4.6310 0.9920 H 1 <1> 0.2900
27 H27 -0.6160 -2.9990 0.3170 H 1 <1> 0.1160
28 H28 -0.9440 -3.9180 1.8180 H 1 <1> 0.0517
29 H29 0.1720 -1.9320 3.0991 H 1 <1> 0.0465
30 H30 -2.8200 -2.2480 0.7860 H 1 <1> 0.0322
31 H31 -5.1430 -2.0384 1.6140 H 1 <1> 0.0817
32 H32 -5.5810 -1.3680 3.9840 H 1 <1> 0.0765
33 H33 -3.6610 -0.9050 5.5160 H 1 <1> 0.0642
34 H34 -1.3290 -1.1150 4.6980 H 1 <1> 0.0983
35 H35 -1.9030 0.4410 1.4900 H 1 <1> 0.1590
36 H36 -0.8980 3.2660 -0.3790 H 1 <1> 0.3330
@<TRIPOS>BOND
1 1 2 1
2 2 3 ar
3 2 18 ar
4 3 4 ar
5 4 5 1
6 4 16 ar
7 5 6 1
8 6 7 1
9 7 8 1
10 8 9 1
11 9 10 1
12 9 16 1
13 10 11 ar
14 10 15 ar
15 11 12 ar
16 12 13 ar
17 13 14 ar
18 14 15 ar
19 16 17 ar
20 17 18 ar
21 18 19 1
22 1 20 1
23 3 21 1
24 5 22 1
25 5 23 1
26 6 24 1
27 6 25 1
28 7 26 1
29 8 27 1
30 8 28 1
31 9 29 1
32 11 30 1
33 12 31 1
34 13 32 1
35 14 33 1
36 15 34 1
37 17 35 1
38 19 36 1
@<TRIPOS>SUBSTRUCTURE
1 **** 1 TEMP 0 **** **** 0 ROOT
Last updated: March 15, 2001
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