REMARK Name = BDB037387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.937 -1.252 -1.906 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -0.342 -1.130 -1.320 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.219 0.052 -1.133 0.00 0.00 +0.083 C ATOM 4 C LIG 1 -2.683 -0.388 -1.288 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -3.023 -1.761 -0.650 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -2.049 -2.780 -0.655 0.00 0.00 -0.254 N ATOM 7 O LIG 1 -4.178 -1.956 -0.245 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -0.739 -2.418 -1.016 0.00 0.00 +0.135 A ATOM 9 N LIG 1 0.418 -3.188 -1.158 0.00 0.00 -0.218 N ATOM 10 N LIG 1 1.338 -2.530 -1.919 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -0.804 0.654 0.206 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.118 0.073 1.448 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.700 0.668 2.641 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.033 1.847 2.604 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.435 2.409 3.751 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.353 2.447 1.396 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.066 1.856 0.203 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 0.818 -4.397 -0.533 0.00 0.00 +0.067 A ATOM 19 C LIG 1 0.393 -4.704 0.763 0.00 0.00 +0.028 A ATOM 20 C LIG 1 0.821 -5.883 1.377 0.00 0.00 +0.002 A ATOM 21 C LIG 1 1.691 -6.743 0.709 0.00 0.00 +0.000 A ATOM 22 C LIG 1 2.152 -6.418 -0.566 0.00 0.00 +0.002 A ATOM 23 C LIG 1 1.729 -5.240 -1.183 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 -3.661 0.601 -0.822 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -4.440 0.224 -0.290 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -3.798 1.818 -1.446 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -3.087 2.170 -2.380 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.891 2.700 -0.951 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.376 2.616 0.362 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -6.400 3.474 0.800 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -6.936 4.410 -0.099 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -6.444 4.505 -1.401 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.421 3.656 -1.824 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -6.941 3.371 2.206 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -7.322 4.573 2.721 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -6.041 2.856 3.089 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -8.036 2.567 2.277 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -2.544 -4.152 -0.512 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -3.049 -4.495 0.886 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 1.819 -0.176 -2.450 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C LIG 1 3.225 1.457 -1.263 0.00 0.00 +0.241 C ATOM 42 N LIG 1 2.760 0.181 -1.414 0.00 0.00 -0.306 N ATOM 43 H LIG 1 3.193 -0.581 -0.907 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 2.892 2.397 -1.975 0.00 0.00 -0.271 OA BRANCH 41 46 ATOM 45 C LIG 1 4.093 0.997 0.991 0.00 0.00 +0.019 C ATOM 46 C LIG 1 4.245 1.631 -0.187 0.00 0.00 +0.021 C BRANCH 46 47 ATOM 47 C LIG 1 5.351 2.596 -0.552 0.00 0.00 +0.124 C BRANCH 47 48 ATOM 48 N LIG 1 6.492 2.611 0.391 0.00 0.00 -0.287 NA ATOM 49 C LIG 1 7.437 1.508 0.087 0.00 0.00 +0.161 C ATOM 50 C LIG 1 8.324 2.468 -0.733 0.00 0.00 +0.274 C ATOM 51 F LIG 1 9.649 2.440 -0.458 0.00 0.00 -0.203 F ATOM 52 F LIG 1 8.203 2.376 -2.079 0.00 0.00 -0.203 F ATOM 53 C LIG 1 7.509 3.591 -0.060 0.00 0.00 +0.161 C ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 41 46 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 11