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@<TRIPOS>MOLECULE
Cpptraj Generated mol2 file.
48 50 2 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 N 1.6340 0.5720 4.5900 N 1 TRP -0.415700
2 H 2.3440 0.6120 5.3080 H 1 TRP 0.271900
3 CA 2.1950 0.6970 3.2600 CT 1 TRP -0.027500
4 HA 1.7820 1.5690 2.7540 H1 1 TRP 0.112300
5 CB 3.7100 0.8790 3.2090 CT 1 TRP -0.005000
6 HB2 4.2080 -0.0140 3.5870 HC 1 TRP 0.033900
7 HB3 3.9270 1.6410 3.9580 HC 1 TRP 0.033900
8 CG 4.2650 1.2910 1.8840 C* 1 TRP -0.141500
9 CD1 4.0320 2.5000 1.3270 CW 1 TRP -0.163800
10 HD1 3.5380 3.3330 1.8050 H4 1 TRP 0.206200
11 NE1 4.8600 2.5800 0.2240 NA 1 TRP -0.341800
12 HE1 4.9290 3.4040 -0.3570 H 1 TRP 0.341200
13 CE2 5.6620 1.4600 0.1460 CN 1 TRP 0.138000
14 CZ2 6.6200 1.1600 -0.8300 CA 1 TRP -0.260100
15 HZ2 7.0590 1.8630 -1.5230 HA 1 TRP 0.157200
16 CH2 7.0910 -0.1570 -0.8770 CA 1 TRP -0.113400
17 HH2 7.8540 -0.3900 -1.6050 HA 1 TRP 0.141700
18 CZ3 6.5450 -1.1500 -0.0550 CA 1 TRP -0.197200
19 HZ3 6.8230 -2.1600 -0.3180 HA 1 TRP 0.144700
20 CE3 5.5490 -0.8410 0.8790 CA 1 TRP -0.238700
21 HE3 5.1350 -1.5700 1.5590 HA 1 TRP 0.170000
22 CD2 5.0750 0.4770 0.9830 CB 1 TRP 0.124300
23 C 1.8100 -0.3910 2.2680 C 1 TRP 0.597300
24 O 1.5480 -0.0370 1.1210 O 1 TRP -0.567900
25 N 1.9060 1.4780 0.1990 N 2 TRP -0.415700
26 H 2.7230 0.8850 0.2340 H 2 TRP 0.271900
27 CA 0.8120 0.9340 -0.5800 CT 2 TRP -0.027500
28 HA 0.2630 1.7800 -0.9950 H1 2 TRP 0.112300
29 CB 1.4120 -0.0100 -1.6170 CT 2 TRP -0.005000
30 HB2 2.1130 -0.7100 -1.1610 HC 2 TRP 0.033900
31 HB3 1.8870 0.6320 -2.3590 HC 2 TRP 0.033900
32 CG 0.4610 -0.9280 -2.3160 C* 2 TRP -0.141500
33 CD1 -0.3130 -0.6860 -3.3980 CW 2 TRP -0.163800
34 HD1 -0.3370 0.2360 -3.9600 H4 2 TRP 0.206200
35 NE1 -0.9710 -1.7860 -3.9110 NA 2 TRP -0.341800
36 HE1 -1.3840 -1.8640 -4.8300 H 2 TRP 0.341200
37 CE2 -0.9570 -2.7630 -2.9370 CN 2 TRP 0.138000
38 CZ2 -1.7850 -3.8650 -2.6910 CA 2 TRP -0.260100
39 HZ2 -2.6310 -4.0120 -3.3460 HA 2 TRP 0.157200
40 CH2 -1.6000 -4.7090 -1.5890 CA 2 TRP -0.113400
41 HH2 -2.3150 -5.4730 -1.3230 HA 2 TRP 0.141700
42 CZ3 -0.5180 -4.3450 -0.7780 CA 2 TRP -0.197200
43 HZ3 -0.3250 -4.9360 0.1040 HA 2 TRP 0.144700
44 CE3 0.1910 -3.1460 -0.9190 CA 2 TRP -0.238700
45 HE3 0.9620 -2.8340 -0.2300 HA 2 TRP 0.170000
46 CD2 -0.0340 -2.2590 -1.9840 CB 2 TRP 0.124300
47 C -0.0790 0.2480 0.4460 C 2 TRP 0.597300
48 O 0.2900 -0.6730 1.1720 O 2 TRP -0.567900
@<TRIPOS>BOND
1 23 24 1
2 20 22 1
3 18 20 1
4 16 18 1
5 14 16 1
6 13 14 1
7 13 22 1
8 11 13 1
9 9 11 1
10 8 9 1
11 8 22 1
12 5 8 1
13 3 5 1
14 3 23 1
15 1 3 1
16 47 48 1
17 44 46 1
18 42 44 1
19 40 42 1
20 38 40 1
21 37 38 1
22 37 46 1
23 35 37 1
24 33 35 1
25 32 33 1
26 32 46 1
27 29 32 1
28 27 29 1
29 27 47 1
30 25 27 1
31 20 21 1
32 18 19 1
33 16 17 1
34 14 15 1
35 11 12 1
36 9 10 1
37 5 6 1
38 5 7 1
39 3 4 1
40 1 2 1
41 44 45 1
42 42 43 1
43 40 41 1
44 38 39 1
45 35 36 1
46 33 34 1
47 29 30 1
48 29 31 1
49 27 28 1
50 25 26 1
@<TRIPOS>SUBSTRUCTURE
1 TRP 1 **** 0 **** ****
2 TRP 25 **** 0 **** ****
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