REMARK Name = BDB004880 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.834 0.047 -0.872 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.465 -0.463 -1.492 0.00 0.00 -0.025 A ATOM 3 C LIG 1 1.722 -0.226 -0.905 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.905 -0.720 -1.479 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.821 -1.471 -2.650 0.00 0.00 +0.023 A ATOM 6 C LIG 1 1.581 -1.728 -3.237 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.412 -1.232 -2.662 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 4.113 -0.416 -0.816 0.00 0.00 -0.281 N ATOM 9 H LIG 1 4.017 0.145 0.023 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 5.395 -0.787 -1.179 0.00 0.00 +0.251 C ATOM 11 O LIG 1 5.697 -1.460 -2.160 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 6.505 -0.321 -0.290 0.00 0.00 +0.072 A ATOM 13 C LIG 1 6.296 0.440 0.866 0.00 0.00 +0.138 A ATOM 14 F LIG 1 5.057 0.796 1.243 0.00 0.00 -0.205 F ATOM 15 C LIG 1 7.359 0.853 1.665 0.00 0.00 +0.077 A ATOM 16 C LIG 1 8.652 0.501 1.305 0.00 0.00 +0.126 A ATOM 17 F LIG 1 9.679 0.895 2.069 0.00 0.00 -0.205 F ATOM 18 C LIG 1 8.897 -0.253 0.164 0.00 0.00 +0.039 A ATOM 19 C LIG 1 7.825 -0.664 -0.633 0.00 0.00 +0.019 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 -1.190 -0.810 0.266 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -0.355 -1.167 0.723 0.00 0.00 +0.148 HD BRANCH 20 25 ATOM 22 C LIG 1 -3.631 -4.680 1.862 0.00 0.00 +0.063 A ATOM 23 C LIG 1 -3.289 -3.805 0.809 0.00 0.00 +0.088 A ATOM 24 C LIG 1 -2.415 -2.740 1.103 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -2.071 -1.886 0.032 0.00 0.00 +0.130 A ATOM 26 N LIG 1 -2.591 -2.039 -1.194 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 -3.412 -3.071 -1.372 0.00 0.00 +0.223 A ATOM 28 C LIG 1 -1.935 -2.559 2.426 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -2.288 -3.428 3.449 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -3.775 -3.962 -0.443 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -3.131 -4.490 3.165 0.00 0.00 +0.015 A BRANCH 22 35 ATOM 32 N LIG 1 -5.035 -6.121 0.448 0.00 0.00 -0.325 N ATOM 33 H LIG 1 -4.821 -5.514 -0.338 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -5.666 -6.900 0.326 0.00 0.00 +0.145 HD ATOM 35 C LIG 1 -4.539 -5.858 1.689 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -4.840 -6.582 2.633 0.00 0.00 -0.270 OA ENDBRANCH 22 35 ENDBRANCH 20 25 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -0.715 1.507 -0.378 0.00 0.00 +0.042 C BRANCH 37 38 ATOM 38 C LIG 1 -2.091 2.095 -0.026 0.00 0.00 +0.086 C BRANCH 38 39 ATOM 39 N LIG 1 -2.013 3.475 0.492 0.00 0.00 -0.302 NA ATOM 40 C LIG 1 -3.305 3.915 1.047 0.00 0.00 +0.084 C ATOM 41 C LIG 1 -4.111 4.799 0.098 0.00 0.00 +0.015 C ATOM 42 C LIG 1 -3.343 6.068 -0.268 0.00 0.00 +0.002 C ATOM 43 C LIG 1 -1.830 5.865 -0.207 0.00 0.00 +0.015 C ATOM 44 C LIG 1 -1.453 4.413 -0.495 0.00 0.00 +0.084 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 9