REMARK Name = BDB009632 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.421 -0.202 -0.379 0.00 0.00 -0.289 N ATOM 2 C LIG 1 1.542 -0.326 0.577 0.00 0.00 +0.114 C ATOM 3 C LIG 1 2.899 0.288 0.089 0.00 0.00 +0.045 C ATOM 4 C LIG 1 2.622 1.649 -0.586 0.00 0.00 +0.026 C ATOM 5 C LIG 1 1.494 1.656 -1.639 0.00 0.00 +0.055 C ATOM 6 C LIG 1 1.830 0.872 -2.922 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.233 0.985 -1.079 0.00 0.00 +0.223 C ATOM 8 O LIG 1 -0.890 1.409 -1.358 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 1.207 0.196 1.982 0.00 0.00 -0.026 A ATOM 10 C LIG 1 1.579 -0.577 3.099 0.00 0.00 +0.007 A ATOM 11 C LIG 1 1.307 -0.142 4.399 0.00 0.00 +0.020 A ATOM 12 C LIG 1 0.663 1.075 4.600 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.322 1.610 6.198 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 0.293 1.860 3.513 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.567 1.426 2.212 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 3.840 -0.689 -0.638 0.00 0.00 -0.041 A ATOM 17 C LIG 1 4.627 -0.315 -1.742 0.00 0.00 +0.024 A ATOM 18 C LIG 1 5.501 -1.221 -2.353 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 6.419 -0.729 -3.724 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 5.643 -2.512 -1.861 0.00 0.00 +0.020 A ATOM 21 C LIG 1 4.921 -2.892 -0.736 0.00 0.00 +0.002 A ATOM 22 C LIG 1 4.046 -1.986 -0.126 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 -0.766 -1.102 -0.267 0.00 0.00 +0.090 C BRANCH 23 25 ATOM 24 C LIG 1 0.363 -3.062 -1.455 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -0.418 -2.607 -0.228 0.00 0.00 +0.020 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 -1.722 -0.710 0.901 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 N LIG 1 -3.048 -1.350 0.849 0.00 0.00 -0.296 NA ATOM 28 C LIG 1 -3.936 -0.798 -0.197 0.00 0.00 +0.119 C ATOM 29 C LIG 1 -5.026 0.212 0.277 0.00 0.00 +0.077 C ATOM 30 C LIG 1 -4.426 1.570 0.664 0.00 0.00 +0.042 C ATOM 31 C LIG 1 -6.031 0.433 -0.863 0.00 0.00 +0.042 C ATOM 32 O LIG 1 -5.793 -0.261 1.403 0.00 0.00 -0.371 OA ATOM 33 C LIG 1 -5.235 -1.411 2.050 0.00 0.00 +0.176 C ATOM 34 C LIG 1 -3.709 -1.323 2.168 0.00 0.00 +0.112 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 35 ATOM 35 C LIG 1 1.104 3.115 -2.012 0.00 0.00 +0.136 C BRANCH 35 36 ATOM 36 C LIG 1 2.187 3.959 -2.647 0.00 0.00 +0.306 C ATOM 37 O LIG 1 3.351 3.631 -2.804 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 1.726 5.174 -3.028 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 0.774 5.309 -2.858 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 9