REMARK Name = BDB060599 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.027 -2.021 -0.144 0.00 0.00 +0.253 C ATOM 2 C LIG 1 1.482 -2.000 1.291 0.00 0.00 +0.195 C ATOM 3 C LIG 1 0.529 -0.817 1.283 0.00 0.00 +0.177 C ATOM 4 C LIG 1 0.055 -0.799 -0.168 0.00 0.00 +0.166 C ATOM 5 O LIG 1 1.201 -1.157 -0.961 0.00 0.00 -0.347 OA ENDROOT BRANCH 1 10 ATOM 6 C LIG 1 6.171 0.497 0.119 0.00 0.00 +0.147 A ATOM 7 C LIG 1 5.322 -0.563 -0.240 0.00 0.00 +0.147 A ATOM 8 N LIG 1 5.535 -1.723 -0.955 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 4.365 -2.325 -0.972 0.00 0.00 +0.203 A ATOM 10 N LIG 1 3.407 -1.611 -0.298 0.00 0.00 -0.286 N ATOM 11 C LIG 1 4.000 -0.471 0.171 0.00 0.00 +0.167 A ATOM 12 N LIG 1 3.443 0.524 0.881 0.00 0.00 -0.216 NA ATOM 13 C LIG 1 4.347 1.486 1.155 0.00 0.00 +0.225 A ATOM 14 N LIG 1 5.653 1.534 0.814 0.00 0.00 -0.219 NA BRANCH 6 15 ATOM 15 N LIG 1 7.517 0.541 -0.221 0.00 0.00 -0.341 N ATOM 16 H LIG 1 7.755 -0.062 -1.000 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 7.879 1.485 -0.227 0.00 0.00 +0.144 HD ENDBRANCH 6 15 ENDBRANCH 1 10 BRANCH 2 18 ATOM 18 O LIG 1 0.737 -3.204 1.554 0.00 0.00 -0.385 OA ATOM 19 H LIG 1 0.050 -2.932 2.202 0.00 0.00 +0.210 HD ENDBRANCH 2 18 BRANCH 3 20 ATOM 20 O LIG 1 -0.536 -1.008 2.214 0.00 0.00 -0.386 OA ATOM 21 H LIG 1 -1.174 -0.286 2.025 0.00 0.00 +0.210 HD ENDBRANCH 3 20 BRANCH 4 22 ATOM 22 C LIG 1 -0.487 0.573 -0.599 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -1.597 1.019 0.268 0.00 0.00 -0.294 NA ATOM 24 C LIG 1 -2.986 0.850 -0.309 0.00 0.00 +0.025 C ATOM 25 C LIG 1 -4.014 0.703 0.827 0.00 0.00 +0.037 C ATOM 26 C LIG 1 -5.434 0.848 0.263 0.00 0.00 +0.082 C ATOM 27 N LIG 1 -5.591 0.399 -1.124 0.00 0.00 -0.316 NA ATOM 28 H LIG 1 -5.427 1.180 -1.758 0.00 0.00 +0.122 HD ATOM 29 C LIG 1 -4.666 -0.683 -1.441 0.00 0.00 +0.082 C ATOM 30 C LIG 1 -3.192 -0.259 -1.352 0.00 0.00 +0.037 C ATOM 31 C LIG 1 -2.864 2.290 -0.886 0.00 0.00 +0.038 C ATOM 32 C LIG 1 -1.750 2.496 0.143 0.00 0.00 +0.087 C ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 6