REMARK Name = BDB035760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.002 0.635 -0.818 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.151 0.746 -1.602 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.296 0.914 -2.799 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.299 0.614 -0.697 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.647 0.654 -1.004 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.563 0.499 0.045 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.087 0.300 1.364 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.710 0.264 1.659 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.826 0.425 0.596 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.332 0.426 0.587 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.782 0.621 -0.762 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.419 0.567 -0.374 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.347 0.710 -1.274 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.660 0.926 -2.616 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.987 0.993 -3.041 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.029 0.842 -2.127 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.572 1.387 1.399 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.035 1.534 1.426 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.947 0.423 0.322 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.418 0.821 -0.032 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -4.864 -1.045 0.929 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.948 -2.235 0.258 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.127 -2.450 -1.151 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.808 -3.207 1.201 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.647 -2.655 2.380 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.679 -1.292 2.210 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.441 3.164 2.796 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.337 2.606 1.493 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.208 0.040 3.060 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.552 -1.145 3.186 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.321 0.998 3.447 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.189 0.034 4.003 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 6.051 0.516 -0.227 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.609 -0.828 -0.090 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 6.101 -1.462 -0.707 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 8.055 -0.788 -0.309 0.00 0.00 +0.054 C ATOM 37 C LIG 1 8.617 -2.223 -0.164 0.00 0.00 +0.019 C ATOM 38 C LIG 1 9.470 -1.923 -1.418 0.00 0.00 +0.003 C ATOM 39 C LIG 1 8.382 -0.901 -1.818 0.00 0.00 +0.019 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8