REMARK Name = BDB001936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.104 -0.934 1.285 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.188 -1.813 1.015 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 2.343 -1.063 0.848 0.00 0.00 +0.102 A ATOM 4 N LIG 1 1.978 0.253 1.031 0.00 0.00 -0.356 N ATOM 5 H LIG 1 2.610 1.042 1.014 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 0.633 0.342 1.271 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -0.890 -3.170 3.090 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -1.760 -2.230 2.324 0.00 0.00 -0.006 A ATOM 9 C LIG 1 -1.311 -1.206 1.511 0.00 0.00 +0.080 A ATOM 10 N LIG 1 -2.144 -0.365 0.854 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -3.463 -0.560 0.978 0.00 0.00 +0.220 A ATOM 12 N LIG 1 -3.987 -1.537 1.725 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 -3.132 -2.346 2.376 0.00 0.00 +0.120 A BRANCH 11 14 ATOM 14 N LIG 1 -4.252 0.351 0.280 0.00 0.00 -0.283 N ATOM 15 H LIG 1 -3.634 0.959 -0.235 0.00 0.00 +0.155 HD BRANCH 14 16 ATOM 16 C LIG 1 -5.623 0.445 -0.013 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -6.132 1.607 -0.661 0.00 0.00 -0.026 A ATOM 18 C LIG 1 -5.186 2.721 -1.048 0.00 0.00 +0.046 C ATOM 19 C LIG 1 -7.514 1.703 -0.967 0.00 0.00 -0.046 A ATOM 20 C LIG 1 -8.098 2.889 -1.686 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -8.380 0.674 -0.574 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -7.894 -0.441 0.096 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -6.533 -0.548 0.374 0.00 0.00 +0.023 A ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 C LIG 1 3.676 -1.554 0.571 0.00 0.00 +0.261 C ATOM 25 N LIG 1 4.554 -0.609 0.090 0.00 0.00 -0.301 N ATOM 26 H LIG 1 4.165 0.227 -0.322 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 4.008 -2.722 0.737 0.00 0.00 -0.269 OA BRANCH 25 28 ATOM 28 CA LIG 1 5.888 -0.990 -0.372 0.00 0.00 +0.129 C BRANCH 28 29 ATOM 29 C LIG 1 6.454 0.137 -1.225 0.00 0.00 -0.024 A ATOM 30 C LIG 1 6.972 1.314 -0.660 0.00 0.00 +0.025 A ATOM 31 C LIG 1 7.450 2.340 -1.476 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 8.079 3.775 -0.764 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 7.414 2.217 -2.863 0.00 0.00 +0.020 A ATOM 34 C LIG 1 6.892 1.061 -3.439 0.00 0.00 +0.002 A ATOM 35 C LIG 1 6.412 0.031 -2.627 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 6.819 -1.420 0.791 0.00 0.00 +0.182 C BRANCH 36 37 ATOM 37 O LIG 1 6.742 -0.524 1.904 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 5.821 -0.575 2.217 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 28 36 ENDBRANCH 25 28 ENDBRANCH 3 24 TORSDOF 8