REMARK Name = LIG000125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.750 -0.768 -0.093 0.00 0.00 -0.287 N ATOM 2 H LIG 1 2.648 -0.119 -0.859 0.00 0.00 +0.151 HD ATOM 3 C LIG 1 1.582 -1.380 0.295 0.00 0.00 +0.305 C ATOM 4 N LIG 1 0.494 -0.607 -0.059 0.00 0.00 -0.269 N ATOM 5 H LIG 1 0.708 0.346 -0.312 0.00 0.00 +0.156 HD ATOM 6 O LIG 1 1.545 -2.446 0.887 0.00 0.00 -0.252 OA ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -0.872 -0.924 0.089 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -1.794 0.099 -0.199 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -3.149 -0.168 -0.079 0.00 0.00 -0.016 A ATOM 10 C LIG 1 -4.322 0.728 -0.300 0.00 0.00 +0.144 C ATOM 11 N LIG 1 -5.452 -0.168 -0.084 0.00 0.00 -0.282 N ATOM 12 C LIG 1 -5.048 -1.419 0.361 0.00 0.00 +0.248 C ATOM 13 O LIG 1 -5.748 -2.346 0.719 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -3.582 -1.429 0.319 0.00 0.00 +0.042 A ATOM 15 C LIG 1 -2.708 -2.457 0.607 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -1.338 -2.194 0.484 0.00 0.00 +0.024 A BRANCH 11 17 ATOM 17 C LIG 1 -6.829 0.291 0.051 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -7.047 1.128 1.323 0.00 0.00 +0.240 C ATOM 19 O LIG 1 -6.227 1.244 2.230 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 -8.254 1.786 1.390 0.00 0.00 -0.255 N ATOM 21 H LIG 1 -8.379 2.349 2.221 0.00 0.00 +0.158 HD ATOM 22 C LIG 1 -8.994 2.198 0.311 0.00 0.00 +0.219 C ATOM 23 O LIG 1 -9.808 3.111 0.412 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -8.763 1.460 -0.987 0.00 0.00 +0.098 C ATOM 25 C LIG 1 -7.295 1.098 -1.158 0.00 0.00 +0.041 C ENDBRANCH 11 17 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 C LIG 1 4.123 -1.295 0.071 0.00 0.00 +0.086 C ATOM 27 C LIG 1 4.430 -1.877 1.479 0.00 0.00 +0.190 C ATOM 28 O LIG 1 4.588 -3.305 1.383 0.00 0.00 -0.377 OA ATOM 29 C LIG 1 4.171 -3.713 0.085 0.00 0.00 +0.162 C ATOM 30 C LIG 1 4.371 -2.520 -0.820 0.00 0.00 +0.061 C BRANCH 26 34 ATOM 31 C LIG 1 6.589 2.193 -0.888 0.00 0.00 +0.008 A ATOM 32 C LIG 1 6.041 2.035 0.385 0.00 0.00 +0.015 A ATOM 33 C LIG 1 5.266 0.909 0.687 0.00 0.00 +0.007 A ATOM 34 C LIG 1 5.030 -0.095 -0.271 0.00 0.00 -0.022 A ATOM 35 C LIG 1 5.551 0.104 -1.561 0.00 0.00 +0.007 A ATOM 36 C LIG 1 6.325 1.230 -1.862 0.00 0.00 +0.015 A BRANCH 31 38 ATOM 37 C LIG 1 8.875 3.493 -0.074 0.00 0.00 +0.090 C ATOM 38 S LIG 1 7.563 3.622 -1.319 0.00 0.00 -0.129 S ENDBRANCH 31 38 ENDBRANCH 26 34 ENDBRANCH 1 26 TORSDOF 5