REMARK Name = BDB057548 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.460 0.697 -0.158 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.327 2.231 -0.146 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -0.921 2.945 0.757 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -1.793 2.790 -1.287 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -1.748 3.754 -1.122 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -2.891 0.338 0.034 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.477 1.189 0.004 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.478 -0.625 -0.815 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -4.860 -0.569 -1.125 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -5.456 -1.552 -1.932 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -4.706 -2.633 -2.390 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.365 -2.737 -2.041 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -2.764 -1.750 -1.254 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.690 0.572 -0.629 0.00 0.00 +0.168 C ATOM 15 O LIG 1 -5.182 1.692 -0.550 0.00 0.00 -0.292 OA BRANCH 14 16 ATOM 16 C LIG 1 -7.141 0.312 -0.217 0.00 0.00 +0.060 C ATOM 17 C LIG 1 -7.339 0.787 1.231 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -8.777 1.008 1.695 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -9.798 0.009 1.160 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -10.364 0.412 -0.200 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -9.407 0.257 -1.378 0.00 0.00 +0.001 C ATOM 22 C LIG 1 -8.072 0.986 -1.232 0.00 0.00 +0.011 C ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 23 ATOM 23 C LIG 1 -0.618 0.073 0.970 0.00 0.00 +0.068 C BRANCH 23 27 ATOM 24 C LIG 1 3.613 0.040 0.031 0.00 0.00 +0.121 A ATOM 25 C LIG 1 3.075 1.055 0.820 0.00 0.00 +0.046 A ATOM 26 C LIG 1 1.710 1.058 1.130 0.00 0.00 +0.007 A ATOM 27 C LIG 1 0.863 0.049 0.657 0.00 0.00 -0.045 A ATOM 28 C LIG 1 1.408 -0.970 -0.132 0.00 0.00 +0.007 A ATOM 29 C LIG 1 2.771 -0.971 -0.438 0.00 0.00 +0.046 A BRANCH 24 30 ATOM 30 O LIG 1 4.919 -0.094 -0.345 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 5.856 0.927 0.019 0.00 0.00 +0.248 C BRANCH 31 32 ATOM 32 C LIG 1 6.433 0.705 1.428 0.00 0.00 +0.150 C BRANCH 32 34 ATOM 33 C LIG 1 6.780 -1.768 1.490 0.00 0.00 +0.134 C ATOM 34 N LIG 1 7.358 -0.434 1.497 0.00 0.00 -0.285 N BRANCH 34 35 ATOM 35 C LIG 1 8.604 -0.256 0.997 0.00 0.00 +0.291 A ATOM 36 O LIG 1 9.385 -1.372 0.830 0.00 0.00 -0.424 OA ATOM 37 C LIG 1 10.555 -0.888 0.327 0.00 0.00 +0.157 A ATOM 38 C LIG 1 10.429 0.485 0.213 0.00 0.00 +0.111 A ATOM 39 C LIG 1 11.508 1.227 -0.283 0.00 0.00 +0.031 A ATOM 40 C LIG 1 12.675 0.535 -0.644 0.00 0.00 +0.002 A ATOM 41 C LIG 1 12.761 -0.858 -0.514 0.00 0.00 +0.004 A ATOM 42 C LIG 1 11.689 -1.612 -0.019 0.00 0.00 +0.048 A ATOM 43 N LIG 1 9.185 0.873 0.638 0.00 0.00 -0.195 NA ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 13