REMARK Name = BDB006279 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.870 0.824 0.180 0.00 0.00 -0.229 N ATOM 2 C LIG 1 1.001 -0.162 0.702 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.265 0.319 0.434 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.715 0.043 0.598 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -2.334 1.361 0.239 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.348 2.309 -0.165 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.486 3.463 -0.538 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.087 1.618 -0.010 0.00 0.00 +0.154 A ATOM 9 N LIG 1 1.184 1.979 -0.103 0.00 0.00 -0.161 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.708 1.615 0.313 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.281 2.744 -0.153 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.647 2.983 -0.090 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.151 4.233 -0.642 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.549 2.067 0.454 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.763 2.246 0.502 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.924 0.822 0.995 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.944 -0.357 1.729 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.598 0.636 0.922 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.060 -1.070 -0.378 0.00 0.00 -0.022 A ATOM 20 C LIG 1 -2.541 -2.297 0.117 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.887 -3.336 -0.751 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.761 -3.162 -2.126 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.183 -4.443 -3.192 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.296 -1.956 -2.640 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.951 -0.915 -1.774 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 5.966 0.983 -0.326 0.00 0.00 +0.218 A ATOM 27 N LIG 1 5.373 -0.203 -0.503 0.00 0.00 -0.178 NA ATOM 28 C LIG 1 4.032 -0.261 -0.357 0.00 0.00 +0.245 A ATOM 29 C LIG 1 3.267 0.828 -0.010 0.00 0.00 +0.145 A ATOM 30 C LIG 1 3.964 2.013 0.088 0.00 0.00 +0.147 A ATOM 31 N LIG 1 5.303 2.109 -0.052 0.00 0.00 -0.221 NA BRANCH 26 33 ATOM 32 C LIG 1 7.942 0.269 -1.447 0.00 0.00 +0.128 C ATOM 33 N LIG 1 7.343 1.109 -0.434 0.00 0.00 -0.316 N ATOM 34 H LIG 1 7.518 2.103 -0.540 0.00 0.00 +0.149 HD ENDBRANCH 26 33 BRANCH 28 35 ATOM 35 O LIG 1 3.404 -1.439 -0.698 0.00 0.00 -0.478 OA ATOM 36 C LIG 1 4.298 -2.496 -1.038 0.00 0.00 +0.279 C ENDBRANCH 28 35 ENDBRANCH 1 29 BRANCH 2 37 ATOM 37 C LIG 1 1.447 -1.359 1.503 0.00 0.00 +0.032 C ATOM 38 C LIG 1 0.922 -1.271 2.941 0.00 0.00 +0.014 C ATOM 39 C LIG 1 1.018 -2.681 0.869 0.00 0.00 +0.014 C ENDBRANCH 2 37 TORSDOF 6