REMARK Name = BDB024182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.774 -0.278 3.066 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.805 0.643 3.703 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.154 1.883 3.145 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.135 2.683 3.736 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.788 2.252 4.888 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.461 1.021 5.452 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.480 0.221 4.863 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.945 -0.428 1.355 0.00 0.00 -0.268 N ATOM 9 H LIG 1 0.445 -1.304 1.225 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.416 0.406 2.326 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.837 1.516 2.632 0.00 0.00 -0.273 OA BRANCH 8 16 ATOM 12 C LIG 1 4.146 0.330 -1.219 0.00 0.00 +0.005 A ATOM 13 C LIG 1 3.421 -0.857 -1.338 0.00 0.00 +0.033 A ATOM 14 C LIG 1 2.351 -1.105 -0.475 0.00 0.00 +0.082 A ATOM 15 CL LIG 1 1.464 -2.578 -0.661 0.00 0.00 -0.080 Cl ATOM 16 C LIG 1 2.019 -0.158 0.500 0.00 0.00 +0.143 A ATOM 17 N LIG 1 2.706 0.993 0.625 0.00 0.00 -0.238 NA ATOM 18 C LIG 1 3.742 1.213 -0.223 0.00 0.00 +0.121 A BRANCH 12 23 ATOM 19 C LIG 1 8.011 -0.087 -4.314 0.00 0.00 +0.172 C ATOM 20 N LIG 1 6.973 0.436 -3.459 0.00 0.00 -0.274 N ATOM 21 N LIG 1 6.875 1.764 -3.276 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 5.839 1.890 -2.443 0.00 0.00 +0.143 A ATOM 23 C LIG 1 5.262 0.645 -2.092 0.00 0.00 +0.021 A ATOM 24 C LIG 1 6.032 -0.277 -2.774 0.00 0.00 +0.116 A ENDBRANCH 12 23 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -1.394 -1.355 2.224 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.000 -1.899 2.842 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.226 -0.833 1.126 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -2.672 -1.989 0.220 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -3.464 -1.495 -0.967 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -2.819 -1.201 -2.176 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.547 -0.725 -3.269 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -4.928 -0.534 -3.162 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.576 -0.819 -1.957 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.847 -1.295 -0.864 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.676 -0.048 -4.284 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.282 0.345 -5.193 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9