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# Name: SENAPO2
# Creating user name: martin
# Creation time: Sat Apr 23 14:16:53 1994
# Modifying user name: martin
# Modification time: Sun Apr 21 19:36:30 1996
@<TRIPOS>MOLECULE
SENAPO2
37 40 1 0 0
SMALL
USER_CHARGES
INVALID_CHARGES
@<TRIPOS>ATOM
1 C1 1.4360 -4.6710 0.3070 C.3 1 <1> 0.0000
2 N2 1.0620 -3.9930 1.5570 N.3 1 <1> -0.1280
3 C3 -0.1680 -4.5800 2.0965 C.3 1 <1> -0.1270
4 C4 -1.2400 -4.6360 1.0074 C.3 1 <1> -0.2720
5 C5 -1.4020 -3.3100 0.3180 C.ar 1 <1> 0.3900
6 C6 -2.5580 -3.0802 -0.4290 C.ar 1 <1> -0.2560
7 C7 -2.7260 -1.8650 -1.0932 C.ar 1 <1> 0.0015
8 C8 -1.7420 -0.8850 -0.9950 C.ar 1 <1> -0.3780
9 C9 -0.5770 -1.0827 -0.2320 C.ar 1 <1> 0.7470
10 C10 -0.4100 -2.3240 0.4120 C.ar 1 <1> -0.5410
11 C11 0.8460 -2.5710 1.2250 C.3 1 <1> 0.3010
12 C12 2.0223 -1.9750 0.4340 C.3 1 <1> -0.5640
13 C13 1.7770 -0.5080 0.1900 C.ar 1 <1> 0.4680
14 C14 2.8370 0.3910 0.2910 C.ar 1 <1> -0.2540
15 C15 2.6140 1.7520 0.0947 C.ar 1 <1> -0.2110
16 C16 1.3350 2.2300 -0.1930 C.ar 1 <1> 0.2730
17 O17 1.1270 3.5670 -0.3540 O.3 1 <1> -0.5220
18 C18 0.2650 1.3270 -0.3090 C.ar 1 <1> 0.4090
19 O19 -0.9710 1.8530 -0.5290 O.3 1 <1> -0.5160
20 C20 0.4830 -0.0550 -0.1230 C.ar 1 <1> -0.6930
21 H21 2.4080 -4.5240 0.1260 H 1 <1> -0.0223
22 H22 0.8960 -4.3000 -0.4480 H 1 <1> -0.0222
23 H23 1.2580 -5.6520 0.3930 H 1 <1> -0.0222
24 H24 0.0148 -5.6230 2.4510 H 1 <1> 0.1090
25 H25 -0.5270 -3.9880 2.9720 H 1 <1> 0.0844
26 H26 -2.2090 -4.9610 1.4560 H 1 <1> 0.0843
27 H27 -0.9530 -5.3860 0.2330 H 1 <1> 0.0858
28 H28 -3.3340 -3.8580 -0.5120 H 1 <1> 0.0878
29 H29 -3.6290 -1.6900 -1.7020 H 1 <1> 0.0726
30 H30 -1.9110 0.0323 -1.5740 H 1 <1> 0.1400
31 H31 0.7210 -1.9970 2.1760 H 1 <1> 0.0705
32 H32 2.9780 -2.0890 0.9910 H 1 <1> 0.1390
33 H33 2.1390 -2.4970 -0.5440 H 1 <1> 0.1570
34 H34 3.8550 0.0416 0.5310 H 1 <1> 0.1100
35 H35 3.4540 2.4620 0.1830 H 1 <1> 0.1030
36 H36 1.9650 4.0422 -0.2280 H 1 <1> 0.3370
37 H37 -0.9220 2.8210 -0.4610 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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