@MOLECULE amp-3 35 35 0 0 0 SMALL GASTEIGER @ATOM 1 CL -6.1358 -1.2278 0.2486 Cl 1 UNL1111111111 -0.0242 2 CL -5.3376 1.5309 0.4286 Cl 1 UNL1111111111 -0.0808 3 S 5.5857 -0.0360 0.2977 S.O2 1 UNL1111111111 2.3423 4 O -0.5297 -1.7998 -1.3290 O.3 1 UNL1111111111 -0.5446 5 O -0.7950 2.2974 -0.6265 O.3 1 UNL1111111111 -0.5671 6 O -3.3914 -1.1556 1.1743 O.2 1 UNL1111111111 -0.4435 7 O 6.1292 -1.3615 0.4729 O.2 1 UNL1111111111 -0.9081 8 O 6.2050 0.9489 -0.5579 O.2 1 UNL1111111111 -0.9139 9 N -2.5490 0.1687 -0.4662 N.am 1 UNL1111111111 -0.5960 10 N 5.5696 0.6751 1.8863 N.3 1 UNL1111111111 -0.9473 11 CA -1.1738 0.0843 0.0455 C.3 1 UNL1111111111 0.0091 12 C -0.2709 -0.4247 -1.1183 C.3 1 UNL1111111111 0.1130 13 C 1.1886 -0.3412 -0.7651 C.ar 1 UNL1111111111 0.0045 14 C -0.7377 1.4809 0.5334 C.3 1 UNL1111111111 -0.0437 15 C 1.9171 0.7936 -1.1288 C.ar 1 UNL1111111111 -0.1906 16 C 1.8111 -1.3922 -0.0936 C.ar 1 UNL1111111111 -0.1564 17 C 3.8869 -0.1623 -0.1179 C.ar 1 UNL1111111111 -0.3697 18 C 3.2676 0.8827 -0.8043 C.ar 1 UNL1111111111 -0.0715 19 C 3.1652 -1.3026 0.2275 C.ar 1 UNL1111111111 -0.0690 20 C -3.5834 -0.4087 0.2447 C.2 1 UNL1111111111 0.5295 21 C -4.9650 -0.0450 -0.2777 C.3 1 UNL1111111111 -0.1339 22 HA -1.1196 -0.6518 0.8966 H 1 UNL1111111111 0.1917 23 H -0.4981 0.1165 -2.0677 H 1 UNL1111111111 0.1484 24 H1 0.2971 1.4768 0.9216 H 1 UNL1111111111 0.1393 25 H2 -1.4255 1.8753 1.3029 H 1 UNL1111111111 0.1365 26 H -2.7053 0.9177 -1.1339 H 1 UNL1111111111 0.3291 27 H 1.4264 1.6074 -1.6634 H 1 UNL1111111111 0.1658 28 H 1.2402 -2.2869 0.1635 H 1 UNL1111111111 0.1770 29 H 3.8317 1.7725 -1.1055 H 1 UNL1111111111 0.1721 30 H 3.6470 -2.1422 0.7413 H 1 UNL1111111111 0.1730 31 H -1.4964 -1.9588 -1.3849 H 1 UNL1111111111 0.3285 32 H -0.7003 3.2408 -0.3888 H 1 UNL1111111111 0.3274 33 H -5.0411 0.0440 -1.3804 H 1 UNL1111111111 0.1869 34 H 5.8953 0.0946 2.6417 H 1 UNL1111111111 0.2936 35 H 5.9540 1.6019 1.9667 H 1 UNL1111111111 0.2927 @BOND 1 1 21 1 2 2 21 1 3 3 7 2 4 3 8 2 5 3 10 1 6 3 17 1 7 4 12 1 8 4 31 1 9 5 14 1 10 5 32 1 11 6 20 2 12 9 11 1 13 9 20 am 14 9 26 1 15 10 34 1 16 10 35 1 17 11 12 1 18 11 14 1 19 11 22 1 20 12 13 1 21 12 23 1 22 13 15 ar 23 13 16 ar 24 14 24 1 25 14 25 1 26 15 18 ar 27 15 27 1 28 16 19 ar 29 16 28 1 30 17 18 ar 31 17 19 ar 32 18 29 1 33 19 30 1 34 20 21 1 35 21 33 1