REMARK Name = BDB011859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.903 1.787 1.268 0.00 0.00 +0.180 C ATOM 2 C LIG 1 -2.603 0.442 0.997 0.00 0.00 +0.108 C ATOM 3 C LIG 1 -3.465 0.048 2.208 0.00 0.00 +0.031 C ATOM 4 N LIG 1 -1.663 -0.622 0.584 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -2.198 -1.710 -0.121 0.00 0.00 +0.223 C ATOM 6 O LIG 1 -3.349 -2.114 0.052 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 -0.616 -0.842 1.529 0.00 0.00 +0.058 A ATOM 8 C LIG 1 0.448 0.085 1.635 0.00 0.00 +0.058 A ATOM 9 C LIG 1 1.497 -0.218 2.513 0.00 0.00 +0.025 A ATOM 10 C LIG 1 1.474 -1.378 3.296 0.00 0.00 +0.002 A ATOM 11 C LIG 1 0.410 -2.267 3.206 0.00 0.00 +0.002 A ATOM 12 N LIG 1 0.504 1.251 0.799 0.00 0.00 -0.262 N ATOM 13 C LIG 1 -0.631 -2.003 2.321 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.626 1.973 0.422 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -0.610 2.807 -0.495 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 16 ATOM 16 C LIG 1 -1.316 -2.228 -1.285 0.00 0.00 +0.080 C ATOM 17 C LIG 1 -2.141 -3.138 -2.213 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -2.269 -4.552 -1.646 0.00 0.00 +0.160 C ATOM 19 O LIG 1 -0.973 -5.107 -1.404 0.00 0.00 -0.380 OA ATOM 20 C LIG 1 -0.262 -4.365 -0.418 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -0.012 -2.942 -0.906 0.00 0.00 +0.041 C ENDBRANCH 5 16 BRANCH 1 23 ATOM 22 C LIG 1 -3.390 3.676 1.928 0.00 0.00 +0.230 C ATOM 23 N LIG 1 -2.773 2.930 0.948 0.00 0.00 -0.301 N ATOM 24 H LIG 1 -2.607 3.353 0.040 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -3.428 3.303 3.099 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 -4.105 4.960 1.424 0.00 0.00 +0.137 C ATOM 27 C LIG 1 -3.132 5.903 0.715 0.00 0.00 +0.034 C BRANCH 26 29 ATOM 28 C LIG 1 -5.942 6.331 2.242 0.00 0.00 +0.101 C ATOM 29 N LIG 1 -4.695 5.664 2.583 0.00 0.00 -0.309 NA ATOM 30 H LIG 1 -4.866 4.970 3.319 0.00 0.00 +0.122 HD ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 1 23 BRANCH 12 31 ATOM 31 C LIG 1 1.803 1.710 0.285 0.00 0.00 +0.171 C BRANCH 31 32 ATOM 32 C LIG 1 2.435 0.697 -0.624 0.00 0.00 +0.089 A ATOM 33 C LIG 1 2.026 0.309 -1.924 0.00 0.00 +0.025 A ATOM 34 C LIG 1 2.942 -0.670 -2.315 0.00 0.00 +0.075 A ATOM 35 C LIG 1 2.775 -1.378 -3.521 0.00 0.00 +0.028 A ATOM 36 C LIG 1 1.715 -1.021 -4.362 0.00 0.00 +0.002 A ATOM 37 C LIG 1 0.838 -0.002 -4.015 0.00 0.00 +0.001 A ATOM 38 N LIG 1 3.888 -0.731 -1.291 0.00 0.00 -0.231 N ATOM 39 C LIG 1 0.976 0.664 -2.793 0.00 0.00 +0.012 A ATOM 40 N LIG 1 3.529 0.035 -0.232 0.00 0.00 -0.169 NA BRANCH 38 41 ATOM 41 C LIG 1 5.157 -1.390 -1.276 0.00 0.00 +0.083 A ATOM 42 C LIG 1 5.790 -1.757 -0.070 0.00 0.00 +0.077 A ATOM 43 C LIG 1 7.069 -2.349 -0.114 0.00 0.00 +0.021 A ATOM 44 C LIG 1 7.717 -2.571 -1.327 0.00 0.00 +0.001 A ATOM 45 C LIG 1 7.098 -2.203 -2.513 0.00 0.00 +0.002 A ATOM 46 C LIG 1 5.832 -1.609 -2.491 0.00 0.00 +0.029 A BRANCH 42 47 ATOM 47 C LIG 1 5.195 -1.631 1.235 0.00 0.00 +0.101 C ATOM 48 N LIG 1 4.788 -1.602 2.324 0.00 0.00 -0.191 NA ENDBRANCH 42 47 ENDBRANCH 38 41 ENDBRANCH 31 32 ENDBRANCH 12 31 TORSDOF 8