REMARK Name = BDB008776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.520 -0.643 0.296 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.156 -0.783 0.542 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.327 -1.950 1.105 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.677 -1.906 1.273 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 2.071 -0.745 0.780 0.00 0.00 +0.163 A ATOM 6 N LIG 1 -0.433 -3.003 1.436 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.725 -2.813 1.136 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.974 -0.020 0.333 0.00 0.00 -0.314 N ATOM 9 N LIG 1 -2.284 -1.709 0.591 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.462 -0.277 0.725 0.00 0.00 +0.114 A ATOM 11 C LIG 1 4.492 -0.987 0.089 0.00 0.00 +0.011 A ATOM 12 C LIG 1 5.772 -0.410 0.136 0.00 0.00 +0.012 A ATOM 13 C LIG 1 5.981 0.805 0.782 0.00 0.00 +0.020 A ATOM 14 C LIG 1 4.894 1.429 1.363 0.00 0.00 +0.111 A ATOM 15 N LIG 1 3.643 0.925 1.341 0.00 0.00 -0.251 NA BRANCH 11 16 ATOM 16 C LIG 1 4.298 -2.245 -0.646 0.00 0.00 -0.016 A ATOM 17 C LIG 1 4.371 -2.267 -2.049 0.00 0.00 +0.008 A ATOM 18 C LIG 1 4.202 -3.459 -2.758 0.00 0.00 +0.001 A ATOM 19 C LIG 1 3.958 -4.647 -2.074 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.888 -4.645 -0.683 0.00 0.00 +0.001 A ATOM 21 C LIG 1 4.062 -3.453 0.025 0.00 0.00 +0.008 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.073 0.517 -0.226 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.658 1.332 0.215 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -4.251 0.691 0.962 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -3.525 0.681 -0.381 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -4.159 -0.315 -1.352 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -3.609 -0.312 -2.807 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.053 -0.576 -3.278 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -5.524 0.098 -1.974 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -2.681 -3.936 1.440 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -3.887 -3.941 1.251 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -2.083 -5.025 1.978 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -2.818 -5.655 2.118 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 1.039 1.243 -0.395 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 C LIG 1 0.550 2.441 0.391 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -0.093 3.485 -0.295 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -0.552 4.615 0.386 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.359 4.741 1.768 0.00 0.00 +0.055 A ATOM 39 C LIG 1 0.294 3.708 2.453 0.00 0.00 +0.013 A ATOM 40 C LIG 1 0.752 2.577 1.771 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -0.872 5.953 2.507 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -0.839 7.088 1.754 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.164 6.235 3.635 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.167 5.806 2.902 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 10