REMARK Name = BDB027481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.802 -0.881 -0.709 0.00 0.00 +0.071 A ATOM 2 N LIG 1 1.547 -1.904 0.139 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.309 -1.978 0.681 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.739 -1.086 0.433 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.471 -0.049 -0.473 0.00 0.00 -0.003 A ATOM 6 C LIG 1 0.815 0.046 -1.038 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.822 -0.742 -2.295 0.00 0.00 +0.155 A ATOM 8 C LIG 1 5.199 -1.955 -1.994 0.00 0.00 +0.165 A ATOM 9 F LIG 1 5.846 -3.113 -2.199 0.00 0.00 -0.202 F ATOM 10 C LIG 1 3.904 -2.001 -1.479 0.00 0.00 +0.052 A ATOM 11 C LIG 1 3.174 -0.824 -1.252 0.00 0.00 +0.003 A ATOM 12 C LIG 1 3.813 0.395 -1.550 0.00 0.00 +0.014 A ATOM 13 C LIG 1 5.118 0.438 -2.067 0.00 0.00 +0.049 A BRANCH 7 15 ATOM 14 C LIG 1 7.763 0.388 -3.085 0.00 0.00 +0.277 C ATOM 15 O LIG 1 7.092 -0.831 -2.795 0.00 0.00 -0.492 OA ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 -2.020 -1.217 1.010 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -2.830 -2.217 0.253 0.00 0.00 +0.132 C ATOM 18 C LIG 1 -4.231 -2.376 0.900 0.00 0.00 +0.093 C ATOM 19 C LIG 1 -4.065 -2.879 2.361 0.00 0.00 +0.030 C ATOM 20 C LIG 1 -2.655 -2.680 2.926 0.00 0.00 +0.021 C ATOM 21 C LIG 1 -2.022 -1.368 2.482 0.00 0.00 +0.105 C BRANCH 18 22 ATOM 22 C LIG 1 -5.039 -3.401 0.073 0.00 0.00 +0.362 C ATOM 23 F LIG 1 -6.241 -3.631 0.665 0.00 0.00 -0.207 F ATOM 24 F LIG 1 -4.390 -4.594 0.043 0.00 0.00 -0.207 F ENDBRANCH 18 22 BRANCH 18 25 ATOM 25 N LIG 1 -4.915 -1.046 0.911 0.00 0.00 -0.319 NA ATOM 26 H LIG 1 -4.299 -0.373 1.369 0.00 0.00 +0.119 HD ATOM 27 H LIG 1 -5.766 -1.105 1.473 0.00 0.00 +0.119 HD ENDBRANCH 18 25 ENDBRANCH 4 16 BRANCH 5 28 ATOM 28 C LIG 1 -1.499 0.997 -0.824 0.00 0.00 +0.161 C BRANCH 28 29 ATOM 29 N LIG 1 -1.355 2.174 0.010 0.00 0.00 -0.310 N ATOM 30 C LIG 1 -0.606 3.283 -0.273 0.00 0.00 +0.166 A ATOM 31 C LIG 1 -0.824 4.137 0.796 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -0.158 5.374 0.760 0.00 0.00 +0.147 A ATOM 33 N LIG 1 0.653 5.641 -0.289 0.00 0.00 -0.219 NA ATOM 34 C LIG 1 0.761 4.715 -1.267 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -1.681 3.567 1.718 0.00 0.00 -0.231 NA ATOM 36 N LIG 1 0.174 3.503 -1.346 0.00 0.00 -0.216 NA ATOM 37 C LIG 1 -1.986 2.393 1.206 0.00 0.00 +0.202 A BRANCH 32 38 ATOM 38 N LIG 1 -0.276 6.332 1.759 0.00 0.00 -0.341 N ATOM 39 H LIG 1 -0.602 5.954 2.641 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 0.513 6.963 1.778 0.00 0.00 +0.144 HD ENDBRANCH 32 38 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 8