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# Name: NPAM
# 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
NPAM
43 46 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 3.4560 -6.6910 0.5970 C.3 1 <1> -0.3930
2 C2 2.1550 -6.1400 1.2030 C.3 1 <1> 0.1720
3 C3 1.8900 -4.6870 0.7640 C.3 1 <1> -0.1640
4 N4 0.8380 -3.9800 1.5210 N.3 1 <1> -0.3160
5 C5 -0.4420 -4.6880 1.4380 C.3 1 <1> 0.0785
6 C6 -1.4420 -4.0991 2.4340 C.3 1 <1> -0.3830
7 C7 -1.5410 -2.6070 2.3050 C.ar 1 <1> 0.2980
8 C8 -2.6490 -1.9570 2.8550 C.ar 1 <1> -0.2020
9 C9 -2.7570 -0.5720 2.7630 C.ar 1 <1> -0.0508
10 C10 -1.7620 0.1530 2.1110 C.ar 1 <1> -0.2700
11 C11 -0.6480 -0.4780 1.5320 C.ar 1 <1> 0.4920
12 C12 -0.5380 -1.8790 1.6550 C.ar 1 <1> -0.2990
13 C13 0.6680 -2.5840 1.0584 C.3 1 <1> 0.1910
14 C14 1.8890 -1.6990 1.3670 C.3 1 <1> -0.3830
15 C15 1.6840 -0.3270 0.7770 C.ar 1 <1> 0.3450
16 C16 2.7500 0.3260 0.1570 C.ar 1 <1> -0.2640
17 C17 2.5580 1.5800 -0.4140 C.ar 1 <1> -0.1830
18 C18 1.3040 2.1940 -0.3830 C.ar 1 <1> 0.2590
19 O19 1.1240 3.4080 -0.9740 O.3 1 <1> -0.5200
20 C20 0.2300 1.5470 0.2480 C.ar 1 <1> 0.3860
21 O21 -0.9850 2.1600 0.1930 O.3 1 <1> -0.5130
22 C22 0.4170 0.2790 0.8400 C.ar 1 <1> -0.5350
23 H23 4.3420 -6.1090 0.9410 H 1 <1> 0.0973
24 H24 3.4290 -6.6510 -0.5150 H 1 <1> 0.0952
25 H25 3.6180 -7.7530 0.8960 H 1 <1> 0.0928
26 H26 1.3290 -6.8120 0.8730 H 1 <1> 0.0065
27 H27 2.2180 -6.1910 2.3160 H 1 <1> 0.0104
28 H28 2.8590 -4.1600 0.9070 H 1 <1> 0.1020
29 H29 1.6580 -4.6720 -0.3270 H 1 <1> 0.0738
30 H30 -0.3340 -5.7620 1.7090 H 1 <1> 0.0419
31 H31 -0.8420 -4.6430 0.3960 H 1 <1> 0.0462
32 H32 -2.4430 -4.5680 2.2790 H 1 <1> 0.1060
33 H33 -1.1170 -4.3260 3.4770 H 1 <1> 0.1170
34 H34 -3.4330 -2.5320 3.3760 H 1 <1> 0.0854
35 H35 -3.6200 -0.0543 3.2150 H 1 <1> 0.0773
36 H36 -1.8800 1.2450 2.1060 H 1 <1> 0.1220
37 H37 0.5020 -2.5960 -0.0466 H 1 <1> 0.0681
38 H38 2.8240 -2.1220 0.9390 H 1 <1> 0.0895
39 H39 2.0381 -1.6100 2.4680 H 1 <1> 0.1280
40 H40 3.7470 -0.1410 0.1070 H 1 <1> 0.1190
41 H41 3.4010 2.0896 -0.9100 H 1 <1> 0.0953
42 H42 1.9580 3.6960 -1.3810 H 1 <1> 0.3370
43 H43 -0.9260 2.9290 -0.3970 H 1 <1> 0.3420
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 13 1
6 5 6 1
7 6 7 1
8 7 8 ar
9 7 12 ar
10 8 9 ar
11 9 10 ar
12 10 11 ar
13 11 12 ar
14 11 22 ar
15 12 13 1
16 13 14 1
17 14 15 1
18 15 16 ar
19 15 22 ar
20 16 17 ar
21 17 18 ar
22 18 19 1
23 18 20 ar
24 20 21 1
25 20 22 ar
26 1 23 1
27 1 24 1
28 1 25 1
29 2 26 1
30 2 27 1
31 3 28 1
32 3 29 1
33 5 30 1
34 5 31 1
35 6 32 1
36 6 33 1
37 8 34 1
38 9 35 1
39 10 36 1
40 13 37 1
41 14 38 1
42 14 39 1
43 16 40 1
44 17 41 1
45 19 42 1
46 21 43 1
@<TRIPOS>SUBSTRUCTURE
1 **** 1 TEMP 0 **** **** 0 ROOT
Last updated: March 15, 2001
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