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# Name: EIPR56AM
# Creating user name: martin
# Creation time: Sat Apr 23 14:16:52 1994
# Modifying user name: martin
# Modification time: Sun Apr 21 19:36:30 1996
@<TRIPOS>MOLECULE
EIPR56AM
44 45 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 3.5730 -6.3580 0.2390 C.3 1 <1> -0.4650
2 C2 2.2630 -5.9550 0.9320 C.3 1 <1> 0.0702
3 C3 1.8760 -4.4990 0.6130 C.3 1 <1> 0.4560
4 N4 0.7560 -3.9770 1.4140 N.3 1 <1> -0.7290
5 C5 -0.4770 -4.7720 1.2940 C.3 1 <1> 0.2240
6 C6 -1.1590 -4.8350 -0.0801 C.3 1 <1> 0.1370
7 C7 -2.3390 -5.8180 -0.0776 C.3 1 <1> -0.4700
8 C8 0.5320 -2.5280 1.2280 C.3 1 <1> 0.1670
9 C9 -0.7570 -2.1140 0.5010 C.3 1 <1> 0.1920
10 C10 -0.9510 -0.5960 0.6170 C.3 1 <1> -0.5470
11 C11 0.2800 0.1900 0.2350 C.ar 1 <1> 0.0737
12 C12 1.5290 -0.4360 0.1590 C.ar 1 <1> 0.0063
13 C13 1.7080 -1.9070 0.4480 C.3 1 <1> -0.2820
14 C14 2.6470 0.3190 -0.2010 C.ar 1 <1> -0.1410
15 C15 2.5160 1.6780 -0.4760 C.ar 1 <1> -0.2400
16 C16 1.2750 2.3140 -0.3970 C.ar 1 <1> 0.2460
17 O17 1.1610 3.6430 -0.6650 O.3 1 <1> -0.4950
18 C18 0.1470 1.5620 -0.0374 C.ar 1 <1> 0.2400
19 O19 -1.0643 2.1790 0.0477 O.3 1 <1> -0.4660
20 H20 4.4230 -5.7240 0.5800 H 1 <1> 0.1120
21 H21 3.8340 -7.4180 0.4630 H 1 <1> 0.1170
22 H22 3.4900 -6.2560 -0.8660 H 1 <1> 0.1010
23 H23 2.3780 -6.0785 2.0358 H 1 <1> 0.0183
24 H24 1.4680 -6.6570 0.5890 H 1 <1> 0.0182
25 H25 2.7790 -3.8770 0.8070 H 1 <1> -0.0709
26 H26 1.6580 -4.4250 -0.4750 H 1 <1> -0.0629
27 H27 -0.2720 -5.8090 1.6450 H 1 <1> -0.0300
28 H28 -1.2170 -4.3920 2.0379 H 1 <1> 0.0016
29 H29 -1.5550 -3.8300 -0.3550 H 1 <1> -0.0381
30 H30 -0.4380 -5.1540 -0.8670 H 1 <1> 0.0031
31 H31 -2.0013 -6.8530 0.1560 H 1 <1> 0.1090
32 H32 -3.1050 -5.5270 0.6770 H 1 <1> 0.1110
33 H33 -2.8400 -5.8450 -1.0730 H 1 <1> 0.1120
34 H34 0.5350 -2.0386 2.2320 H 1 <1> 0.0603
35 H35 -0.6940 -2.3810 -0.5790 H 1 <1> 0.0500
36 H36 -1.6590 -2.6250 0.9050 H 1 <1> 0.0344
37 H37 -1.2110 -0.3310 1.6690 H 1 <1> 0.1410
38 H38 -1.8130 -0.2970 -0.0241 H 1 <1> 0.1430
39 H39 1.8500 -2.4100 -0.5340 H 1 <1> 0.0972
40 H40 2.6470 -2.0619 1.0322 H 1 <1> 0.1430
41 H41 3.6390 -0.1560 -0.2730 H 1 <1> 0.0868
42 H42 3.4070 2.2620 -0.7600 H 1 <1> 0.1080
43 H43 2.0341 4.0005 -0.8980 H 1 <1> 0.3300
44 H44 -0.9520 3.1220 -0.1580 H 1 <1> 0.3240
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 8 1
6 5 6 1
7 6 7 1
8 8 9 1
9 8 13 1
10 9 10 1
11 10 11 1
12 11 12 ar
13 11 18 ar
14 12 13 1
15 12 14 ar
16 14 15 ar
17 15 16 ar
18 16 17 1
19 16 18 ar
20 18 19 1
21 1 20 1
22 1 21 1
23 1 22 1
24 2 23 1
25 2 24 1
26 3 25 1
27 3 26 1
28 5 27 1
29 5 28 1
30 6 29 1
31 6 30 1
32 7 31 1
33 7 32 1
34 7 33 1
35 8 34 1
36 9 35 1
37 9 36 1
38 10 37 1
39 10 38 1
40 13 39 1
41 13 40 1
42 14 41 1
43 15 42 1
44 17 43 1
45 19 44 1
@<TRIPOS>SUBSTRUCTURE
1 **** 1 TEMP 0 **** **** 0 ROOT
Last updated: March 15, 2001
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