REMARK Name = BDB035812 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.270 -1.531 0.010 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.455 -0.466 0.412 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.692 0.720 0.541 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.875 -1.025 0.689 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.016 -0.372 1.115 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.175 -1.135 1.320 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.147 -2.528 1.069 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.976 -3.177 0.630 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.840 -2.393 0.448 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.528 -2.784 -0.009 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.722 -0.183 -0.674 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.363 -0.254 -0.303 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.643 -1.457 -0.356 0.00 0.00 +0.037 A ATOM 14 C LIG 1 3.325 -2.605 -0.790 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.670 -2.552 -1.167 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.364 -1.349 -1.113 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.497 1.132 -0.621 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 6.502 -0.078 2.097 0.00 0.00 +0.151 C ATOM 19 N LIG 1 5.920 1.222 1.903 0.00 0.00 -0.320 N ATOM 20 C LIG 1 5.462 1.783 0.736 0.00 0.00 +0.141 A ATOM 21 N LIG 1 5.033 3.002 1.009 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 5.198 3.233 2.352 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 5.724 2.153 2.877 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 4.952 2.074 -1.701 0.00 0.00 +0.055 C ATOM 25 C LIG 1 5.226 1.675 -3.160 0.00 0.00 +0.166 C ATOM 26 O LIG 1 6.319 2.621 -3.250 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 5.860 3.271 -2.036 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -1.943 -4.657 0.365 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -3.132 -5.282 0.579 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.591 -4.943 -0.919 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.033 -5.300 1.147 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -4.453 -0.461 1.763 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 -5.136 0.132 0.618 0.00 0.00 -0.312 NA ATOM 34 H LIG 1 -5.341 -0.596 -0.064 0.00 0.00 +0.122 HD BRANCH 33 35 ATOM 35 C LIG 1 -6.375 0.800 1.023 0.00 0.00 +0.087 C BRANCH 35 36 ATOM 36 C LIG 1 -7.113 1.496 -0.154 0.00 0.00 -0.025 C ATOM 37 C LIG 1 -6.219 2.565 -0.806 0.00 0.00 +0.012 C ATOM 38 C LIG 1 -8.374 2.183 0.406 0.00 0.00 +0.012 C ATOM 39 C LIG 1 -7.547 0.477 -1.223 0.00 0.00 +0.012 C ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 9