REMARK Name = BDB035768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.516 -0.377 -0.972 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.727 -0.964 -1.356 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.978 -1.830 -2.174 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.782 -0.340 -0.548 0.00 0.00 +0.043 A ATOM 5 C LIG 1 4.143 -0.590 -0.565 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.953 0.134 0.319 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.362 1.087 1.187 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.975 1.329 1.189 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.198 0.593 0.299 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.722 0.621 0.070 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.226 -0.254 -1.494 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -1.918 -0.015 -1.005 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -0.771 -0.665 -1.505 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -0.951 -1.591 -2.534 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.220 -1.854 -3.048 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.334 -1.193 -2.536 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -5.587 2.374 -0.750 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -4.372 1.756 -0.021 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.530 0.480 -0.913 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.276 1.421 -1.924 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.499 -0.588 -0.236 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.206 -1.470 0.768 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -3.957 -1.655 1.452 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.352 -2.165 1.003 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.298 -1.736 0.202 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -6.761 -0.743 -0.581 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -6.564 4.358 -1.738 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -5.476 3.787 -1.023 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.347 2.335 2.115 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.230 2.972 2.927 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.419 1.766 2.935 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.684 3.311 1.435 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 6.452 -0.097 0.353 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.894 -0.599 1.662 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 8.358 -0.832 1.658 0.00 0.00 +0.117 C ATOM 36 C LIG 1 8.126 -2.325 1.343 0.00 0.00 +0.142 C ATOM 37 C LIG 1 6.671 -2.058 1.787 0.00 0.00 +0.117 C BRANCH 36 38 ATOM 38 O LIG 1 8.888 -3.276 2.115 0.00 0.00 -0.389 OA ATOM 39 H LIG 1 8.475 -4.137 1.932 0.00 0.00 +0.210 HD ENDBRANCH 36 38 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8