REMARK Name = BDB063219 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.335 2.310 0.020 0.00 0.00 +0.008 C ATOM 2 C LIG 1 -4.272 1.286 0.412 0.00 0.00 -0.009 C ATOM 3 C LIG 1 -2.892 1.702 -0.120 0.00 0.00 +0.040 C ATOM 4 C LIG 1 -1.856 0.609 -0.009 0.00 0.00 -0.027 A ATOM 5 C LIG 1 -0.477 1.018 -0.155 0.00 0.00 +0.023 A ATOM 6 C LIG 1 0.543 0.150 -0.058 0.00 0.00 +0.102 A ATOM 7 C LIG 1 0.225 -1.284 0.211 0.00 0.00 +0.263 A ATOM 8 N LIG 1 -1.127 -1.626 0.349 0.00 0.00 -0.315 N ATOM 9 C LIG 1 -1.440 -3.026 0.617 0.00 0.00 +0.152 C ATOM 10 O LIG 1 1.143 -2.103 0.300 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -2.156 -0.685 0.223 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -3.596 -1.143 0.350 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -4.628 -0.107 -0.106 0.00 0.00 +0.010 C ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 1.937 0.686 -0.230 0.00 0.00 +0.254 C ATOM 15 N LIG 1 2.933 -0.260 -0.121 0.00 0.00 -0.281 N ATOM 16 H LIG 1 2.627 -1.217 0.062 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 2.110 1.883 -0.448 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 4.326 -0.078 -0.230 0.00 0.00 +0.034 A ATOM 19 C LIG 1 4.941 1.150 -0.478 0.00 0.00 +0.023 A ATOM 20 C LIG 1 6.334 1.239 -0.572 0.00 0.00 +0.002 A ATOM 21 C LIG 1 7.123 0.102 -0.418 0.00 0.00 +0.000 A ATOM 22 C LIG 1 6.520 -1.128 -0.171 0.00 0.00 +0.002 A ATOM 23 C LIG 1 5.129 -1.216 -0.077 0.00 0.00 +0.023 A ENDBRANCH 15 18 ENDBRANCH 6 14 TORSDOF 2