REMARK Name = BDB060596 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.985 -1.973 -0.229 0.00 0.00 +0.253 C ATOM 2 C LIG 1 1.446 -1.998 1.209 0.00 0.00 +0.195 C ATOM 3 C LIG 1 0.425 -0.875 1.214 0.00 0.00 +0.177 C ATOM 4 C LIG 1 -0.060 -0.880 -0.232 0.00 0.00 +0.166 C ATOM 5 O LIG 1 1.105 -1.150 -1.032 0.00 0.00 -0.347 OA ENDROOT BRANCH 1 10 ATOM 6 C LIG 1 5.992 0.756 0.061 0.00 0.00 +0.147 A ATOM 7 C LIG 1 5.193 -0.334 -0.324 0.00 0.00 +0.147 A ATOM 8 N LIG 1 5.456 -1.453 -1.087 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 4.320 -2.117 -1.106 0.00 0.00 +0.203 A ATOM 10 N LIG 1 3.337 -1.482 -0.388 0.00 0.00 -0.286 N ATOM 11 C LIG 1 3.877 -0.330 0.113 0.00 0.00 +0.167 A ATOM 12 N LIG 1 3.281 0.606 0.869 0.00 0.00 -0.216 NA ATOM 13 C LIG 1 4.138 1.605 1.165 0.00 0.00 +0.225 A ATOM 14 N LIG 1 5.431 1.737 0.804 0.00 0.00 -0.219 NA BRANCH 6 15 ATOM 15 N LIG 1 7.326 0.887 -0.301 0.00 0.00 -0.341 N ATOM 16 H LIG 1 7.580 0.326 -1.107 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 7.636 1.849 -0.278 0.00 0.00 +0.144 HD ENDBRANCH 6 15 ENDBRANCH 1 10 BRANCH 2 18 ATOM 18 O LIG 1 0.774 -3.248 1.464 0.00 0.00 -0.385 OA ATOM 19 H LIG 1 0.073 -3.021 2.113 0.00 0.00 +0.210 HD ENDBRANCH 2 18 BRANCH 3 20 ATOM 20 O LIG 1 -0.621 -1.131 2.151 0.00 0.00 -0.386 OA ATOM 21 H LIG 1 -1.301 -0.448 1.964 0.00 0.00 +0.210 HD ENDBRANCH 3 20 BRANCH 4 22 ATOM 22 C LIG 1 -0.696 0.457 -0.648 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -1.803 0.882 0.246 0.00 0.00 -0.293 NA ATOM 24 C LIG 1 -3.155 0.496 -0.242 0.00 0.00 +0.036 C ATOM 25 C LIG 1 -4.216 0.513 0.888 0.00 0.00 +0.103 C ATOM 26 N LIG 1 -5.347 -0.312 0.429 0.00 0.00 -0.314 NA ATOM 27 H LIG 1 -6.120 0.284 0.135 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 -4.874 -1.099 -0.717 0.00 0.00 +0.083 C ATOM 29 C LIG 1 -3.363 -0.930 -0.749 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -3.489 1.557 -1.313 0.00 0.00 +0.025 C ATOM 31 C LIG 1 -2.679 2.786 -0.918 0.00 0.00 +0.017 C ATOM 32 C LIG 1 -1.871 2.359 0.296 0.00 0.00 +0.085 C ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 6