REMARK Name = BDB022283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.454 -4.991 -0.055 0.00 0.00 +0.152 C ATOM 2 N LIG 1 2.383 -4.044 -0.322 0.00 0.00 -0.311 N ATOM 3 C LIG 1 2.472 -2.703 0.153 0.00 0.00 +0.054 A ATOM 4 C LIG 1 1.435 -1.794 -0.130 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.603 -0.445 0.257 0.00 0.00 +0.035 A ATOM 6 C LIG 1 2.726 0.004 0.968 0.00 0.00 +0.032 A ATOM 7 C LIG 1 3.714 -0.926 1.277 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.208 -2.252 -0.846 0.00 0.00 +0.042 A ATOM 9 C LIG 1 0.222 -3.503 -1.323 0.00 0.00 +0.093 A ATOM 10 C LIG 1 3.593 -2.259 0.873 0.00 0.00 +0.028 A ATOM 11 C LIG 1 1.322 -4.465 -1.103 0.00 0.00 +0.253 A ATOM 12 O LIG 1 1.223 -5.585 -1.602 0.00 0.00 -0.268 OA ENDROOT BRANCH 6 13 ATOM 13 N LIG 1 2.823 1.372 1.287 0.00 0.00 -0.313 N ATOM 14 H LIG 1 1.912 1.822 1.361 0.00 0.00 +0.152 HD BRANCH 13 15 ATOM 15 C LIG 1 3.935 2.212 1.521 0.00 0.00 +0.053 A ATOM 16 C LIG 1 3.833 3.336 2.364 0.00 0.00 +0.110 A ATOM 17 C LIG 1 4.976 4.093 2.588 0.00 0.00 +0.148 A ATOM 18 CL LIG 1 4.998 5.492 3.594 0.00 0.00 -0.061 Cl ATOM 19 N LIG 1 6.188 3.825 2.051 0.00 0.00 -0.242 NA ATOM 20 C LIG 1 6.266 2.749 1.247 0.00 0.00 +0.114 A ATOM 21 C LIG 1 5.188 1.927 0.963 0.00 0.00 +0.044 A BRANCH 16 22 ATOM 22 C LIG 1 2.590 3.693 2.970 0.00 0.00 +0.104 C ATOM 23 N LIG 1 1.551 3.951 3.418 0.00 0.00 -0.191 NA ENDBRANCH 16 22 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 8 24 ATOM 24 N LIG 1 -0.842 -1.351 -0.953 0.00 0.00 -0.331 N ATOM 25 H LIG 1 -0.874 -0.670 -0.189 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.204 -1.455 -1.526 0.00 0.00 +0.086 C ATOM 27 C LIG 1 -3.001 -2.578 -0.849 0.00 0.00 +0.039 C ATOM 28 C LIG 1 -2.119 -1.641 -3.047 0.00 0.00 +0.039 C BRANCH 26 29 ATOM 29 C LIG 1 -2.959 -0.130 -1.219 0.00 0.00 +0.151 A ATOM 30 N LIG 1 -4.099 0.144 -1.885 0.00 0.00 -0.238 NA ATOM 31 C LIG 1 -4.736 1.287 -1.550 0.00 0.00 +0.118 A ATOM 32 C LIG 1 -4.319 2.175 -0.573 0.00 0.00 -0.008 A ATOM 33 C LIG 1 -3.143 1.787 0.044 0.00 0.00 +0.118 A ATOM 34 N LIG 1 -2.451 0.661 -0.241 0.00 0.00 -0.238 NA BRANCH 32 35 ATOM 35 C LIG 1 -5.048 3.447 -0.243 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -5.468 3.735 1.180 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -6.507 3.407 0.151 0.00 0.00 +0.009 C ENDBRANCH 32 35 ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 8 24 TORSDOF 7