REMARK Name = BDB008206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.603 0.945 -0.373 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.726 0.160 -0.224 0.00 0.00 +0.237 C ATOM 3 N LIG 1 0.788 1.142 0.019 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.898 1.660 0.880 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.456 -0.838 -0.898 0.00 0.00 -0.273 OA BRANCH 2 6 ATOM 6 C LIG 1 3.114 0.337 0.483 0.00 0.00 +0.110 C BRANCH 6 7 ATOM 7 N LIG 1 3.989 -0.731 -0.080 0.00 0.00 -0.301 N ATOM 8 H LIG 1 3.683 -1.667 0.155 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 4.544 -0.673 -1.349 0.00 0.00 +0.216 C ATOM 10 O LIG 1 4.541 0.327 -2.057 0.00 0.00 -0.276 OA BRANCH 9 11 ATOM 11 C LIG 1 5.171 -1.998 -1.788 0.00 0.00 +0.069 C ATOM 12 C LIG 1 6.337 -2.373 -0.876 0.00 0.00 +0.017 C ATOM 13 C LIG 1 5.636 -1.929 -3.241 0.00 0.00 +0.017 C ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 15 ATOM 14 C LIG 1 2.381 -1.294 2.392 0.00 0.00 +0.006 C ATOM 15 C LIG 1 2.943 0.075 2.008 0.00 0.00 +0.032 C ENDBRANCH 6 15 BRANCH 6 16 ATOM 16 C LIG 1 3.729 1.748 0.224 0.00 0.00 +0.032 C ATOM 17 C LIG 1 3.407 2.867 1.211 0.00 0.00 +0.006 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 -1.373 0.335 0.816 0.00 0.00 +0.234 C ATOM 19 N LIG 1 -2.591 -0.196 0.461 0.00 0.00 -0.300 N ATOM 20 H LIG 1 -2.896 -0.079 -0.506 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 -0.939 0.354 1.966 0.00 0.00 -0.274 OA BRANCH 19 22 ATOM 22 C LIG 1 -3.562 -0.820 1.366 0.00 0.00 +0.110 C ATOM 23 C LIG 1 -4.026 0.137 2.485 0.00 0.00 +0.035 C ATOM 24 C LIG 1 -3.524 -0.476 3.789 0.00 0.00 +0.003 C ATOM 25 C LIG 1 -3.482 -1.968 3.516 0.00 0.00 +0.003 C ATOM 26 C LIG 1 -2.987 -2.063 2.077 0.00 0.00 +0.035 C BRANCH 22 27 ATOM 27 C LIG 1 -4.754 -1.227 0.446 0.00 0.00 +0.234 C ATOM 28 O LIG 1 -4.760 -1.012 -0.770 0.00 0.00 -0.274 OA ATOM 29 N LIG 1 -5.821 -1.854 1.017 0.00 0.00 -0.328 N ATOM 30 H LIG 1 -5.962 -1.904 2.016 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 -6.615 -2.057 0.422 0.00 0.00 +0.145 HD ENDBRANCH 22 27 ENDBRANCH 19 22 ENDBRANCH 1 18 BRANCH 1 32 ATOM 32 C LIG 1 -1.251 2.269 -0.789 0.00 0.00 +0.033 C BRANCH 32 33 ATOM 33 C LIG 1 -1.042 2.616 -2.267 0.00 0.00 +0.023 C BRANCH 33 34 ATOM 34 C LIG 1 -1.508 1.552 -3.269 0.00 0.00 +0.115 C BRANCH 34 35 ATOM 35 N LIG 1 -2.772 0.917 -2.896 0.00 0.00 -0.356 N ATOM 36 H LIG 1 -2.822 -0.040 -3.225 0.00 0.00 +0.162 HD BRANCH 35 37 ATOM 37 C LIG 1 -3.946 1.587 -2.975 0.00 0.00 +0.188 C ATOM 38 N LIG 1 -4.078 2.854 -3.116 0.00 0.00 -0.269 NA ATOM 39 H LIG 1 -5.087 3.034 -3.118 0.00 0.00 +0.190 HD BRANCH 37 40 ATOM 40 N LIG 1 -5.029 0.791 -2.859 0.00 0.00 -0.370 N ATOM 41 H LIG 1 -5.078 0.130 -3.627 0.00 0.00 +0.159 HD ATOM 42 H LIG 1 -4.928 0.167 -2.049 0.00 0.00 +0.159 HD ENDBRANCH 37 40 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 15