REMARK Name = BDB009219 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.545 -0.271 2.459 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.194 0.825 1.994 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.418 1.169 2.592 0.00 0.00 -0.041 A ATOM 4 C LIG 1 -1.869 0.425 3.691 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.124 -0.652 4.172 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.080 -1.000 3.559 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 2.692 -1.186 2.546 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.837 -0.676 1.831 0.00 0.00 +0.248 C ATOM 9 N LIG 1 1.917 -0.462 0.467 0.00 0.00 -0.281 N ATOM 10 H LIG 1 1.078 -0.144 0.000 0.00 0.00 +0.155 HD BRANCH 9 11 ATOM 11 C LIG 1 3.020 -0.712 -0.378 0.00 0.00 +0.037 A ATOM 12 C LIG 1 4.264 -1.161 0.070 0.00 0.00 +0.072 A ATOM 13 C LIG 1 5.305 -1.371 -0.839 0.00 0.00 +0.164 A ATOM 14 O LIG 1 6.503 -1.793 -0.318 0.00 0.00 -0.485 OA ATOM 15 C LIG 1 7.567 -1.642 -1.263 0.00 0.00 +0.270 C ATOM 16 C LIG 1 7.146 -2.159 -2.628 0.00 0.00 +0.270 C ATOM 17 O LIG 1 6.067 -1.378 -3.155 0.00 0.00 -0.485 OA ATOM 18 C LIG 1 5.102 -1.159 -2.206 0.00 0.00 +0.162 A ATOM 19 C LIG 1 3.873 -0.696 -2.659 0.00 0.00 +0.051 A ATOM 20 C LIG 1 2.836 -0.473 -1.749 0.00 0.00 +0.027 A ENDBRANCH 9 11 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -2.217 2.344 2.077 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -2.560 2.218 0.594 0.00 0.00 +0.069 A ATOM 23 C LIG 1 -3.690 1.337 0.163 0.00 0.00 -0.016 A ATOM 24 C LIG 1 -4.545 0.622 1.172 0.00 0.00 +0.037 C ATOM 25 C LIG 1 -5.831 0.041 0.577 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -5.560 -0.641 -0.758 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -4.958 0.344 -1.763 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -3.895 1.221 -1.161 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -3.047 1.978 -2.115 0.00 0.00 +0.268 A ATOM 30 O LIG 1 -3.215 1.909 -3.328 0.00 0.00 -0.266 OA ATOM 31 N LIG 1 -2.069 2.757 -1.559 0.00 0.00 -0.243 N ATOM 32 H LIG 1 -1.486 3.292 -2.195 0.00 0.00 +0.192 HD ATOM 33 N LIG 1 -1.803 2.880 -0.232 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 4