REMARK Name = BDB035475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.773 -0.308 0.677 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.250 -0.894 1.428 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.253 -1.371 2.548 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.461 -0.865 0.599 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.729 -1.322 0.909 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.732 -1.180 -0.058 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.423 -0.571 -1.299 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.127 -0.111 -1.599 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.151 -0.273 -0.620 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.294 0.111 -0.636 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.417 0.689 0.557 0.00 0.00 -0.007 A ATOM 12 C LIG 1 -3.058 0.468 0.216 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -2.120 -0.111 1.088 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.565 -0.476 2.359 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.890 -0.266 2.744 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.798 0.309 1.856 0.00 0.00 +0.007 A BRANCH 11 20 ATOM 17 C LIG 1 -6.235 4.569 -0.272 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -6.259 3.196 -0.910 0.00 0.00 +0.120 C ATOM 19 O LIG 1 -4.925 2.635 -0.987 0.00 0.00 -0.358 OA ATOM 20 C LIG 1 -5.421 1.333 -0.512 0.00 0.00 +0.156 C ATOM 21 C LIG 1 -6.722 2.033 -0.028 0.00 0.00 +0.079 C BRANCH 20 22 ATOM 22 C LIG 1 -5.719 0.288 -1.679 0.00 0.00 +0.170 A ATOM 23 N LIG 1 -6.210 -0.985 -1.565 0.00 0.00 -0.318 N ATOM 24 C LIG 1 -6.579 -1.694 -0.372 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.295 -1.471 -2.834 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -5.895 -0.555 -3.683 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -5.532 0.555 -2.957 0.00 0.00 -0.131 NA ENDBRANCH 20 22 ENDBRANCH 11 20 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.803 0.539 -2.917 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.852 0.581 -3.783 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.385 1.826 -2.767 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.799 -0.104 -3.573 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.145 -1.643 0.227 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 6.021 -0.490 0.441 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.578 0.123 1.126 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.393 -0.890 0.796 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.444 -1.379 2.271 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.654 -0.443 2.475 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.133 0.392 1.286 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.126 -1.684 -0.271 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7