REMARK Name = BDB020008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.858 0.868 -1.167 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.233 1.824 -0.217 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.551 1.877 0.259 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -3.481 0.952 -0.254 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -3.122 0.005 -1.231 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.802 -0.016 -1.695 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.949 2.863 1.276 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -4.038 3.719 1.070 0.00 0.00 +0.031 A ATOM 9 C LIG 1 -4.391 4.636 2.058 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -5.547 5.566 1.842 0.00 0.00 +0.065 C ATOM 11 N LIG 1 -3.722 4.740 3.228 0.00 0.00 -0.260 NA ATOM 12 C LIG 1 -2.671 3.915 3.413 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -2.253 2.977 2.484 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 15 ATOM 14 N LIG 1 1.266 -0.343 -1.573 0.00 0.00 -0.296 N ATOM 15 C LIG 1 0.542 0.846 -1.642 0.00 0.00 +0.247 C ATOM 16 O LIG 1 0.995 1.898 -2.087 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 0.824 -1.555 -0.888 0.00 0.00 +0.132 C BRANCH 14 18 ATOM 18 C LIG 1 2.586 -0.384 -2.197 0.00 0.00 +0.143 C BRANCH 18 23 ATOM 19 C LIG 1 5.578 -1.363 -0.031 0.00 0.00 +0.124 A ATOM 20 C LIG 1 5.792 -0.187 0.694 0.00 0.00 +0.091 A ATOM 21 C LIG 1 4.975 0.927 0.480 0.00 0.00 +0.124 A ATOM 22 C LIG 1 3.942 0.857 -0.459 0.00 0.00 +0.051 A ATOM 23 C LIG 1 3.711 -0.315 -1.191 0.00 0.00 -0.023 A ATOM 24 C LIG 1 4.541 -1.420 -0.967 0.00 0.00 +0.051 A BRANCH 19 26 ATOM 25 C LIG 1 7.385 -2.520 1.000 0.00 0.00 +0.277 C ATOM 26 O LIG 1 6.301 -2.520 0.080 0.00 0.00 -0.495 OA ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 O LIG 1 5.077 2.133 1.121 0.00 0.00 -0.495 OA ATOM 28 C LIG 1 6.138 2.285 2.054 0.00 0.00 +0.277 C ENDBRANCH 21 27 ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 1 15 BRANCH 5 29 ATOM 29 C LIG 1 -4.130 -1.004 -1.737 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -3.863 -2.319 -1.190 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -3.076 -3.310 -1.793 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -2.536 -3.340 -2.958 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -2.781 -2.500 -3.478 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -2.980 -4.309 -0.822 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -2.176 -5.494 -0.986 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -3.642 -3.919 0.330 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -4.181 -2.713 0.109 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8