REMARK Name = BDB034026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.310 -1.202 -2.052 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.869 -1.728 -0.905 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -1.298 -1.801 -0.072 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -1.943 -1.049 -3.096 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 0.140 -0.711 -1.891 0.00 0.00 +0.165 C BRANCH 5 7 ATOM 6 C LIG 1 1.379 -1.754 -3.746 0.00 0.00 +0.213 C ATOM 7 N LIG 1 0.736 -0.645 -3.229 0.00 0.00 -0.304 N ATOM 8 H LIG 1 0.209 -0.102 -3.906 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 1.657 -2.745 -3.081 0.00 0.00 -0.276 OA BRANCH 6 11 ATOM 10 C LIG 1 2.367 -2.845 -5.796 0.00 0.00 +0.013 C ATOM 11 C LIG 1 1.712 -1.601 -5.219 0.00 0.00 +0.092 C ENDBRANCH 6 11 ENDBRANCH 5 7 BRANCH 5 12 ATOM 12 C LIG 1 0.084 0.665 -1.217 0.00 0.00 +0.094 C BRANCH 12 13 ATOM 13 C LIG 1 1.408 1.059 -0.645 0.00 0.00 +0.082 A ATOM 14 S LIG 1 2.215 2.467 -1.201 0.00 0.00 -0.072 S ATOM 15 C LIG 1 3.475 2.197 -0.061 0.00 0.00 +0.039 A ATOM 16 C LIG 1 3.193 1.036 0.658 0.00 0.00 +0.078 A ATOM 17 C LIG 1 4.101 0.618 1.647 0.00 0.00 +0.029 A ATOM 18 C LIG 1 5.259 1.367 1.894 0.00 0.00 +0.006 A ATOM 19 C LIG 1 5.535 2.534 1.171 0.00 0.00 -0.044 A ATOM 20 C LIG 1 4.630 2.961 0.181 0.00 0.00 +0.021 A ATOM 21 N LIG 1 2.006 0.404 0.325 0.00 0.00 -0.244 NA BRANCH 19 22 ATOM 22 C LIG 1 6.793 3.328 1.487 0.00 0.00 +0.013 C ATOM 23 C LIG 1 6.446 4.625 2.222 0.00 0.00 +0.012 C ATOM 24 C LIG 1 7.632 3.615 0.238 0.00 0.00 +0.012 C ENDBRANCH 19 22 ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 1 5 BRANCH 2 25 ATOM 25 C LIG 1 -3.307 -2.032 -0.804 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.566 -2.970 0.410 0.00 0.00 +0.011 C ATOM 27 C LIG 1 -2.713 -4.259 0.301 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -3.268 -5.449 1.091 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -4.089 -5.002 2.290 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -5.287 -4.159 1.862 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -5.045 -3.345 0.586 0.00 0.00 +0.005 C ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -4.104 -0.705 -0.751 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 N LIG 1 -3.648 0.158 0.319 0.00 0.00 -0.308 N ATOM 34 H LIG 1 -2.688 0.075 0.637 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -4.172 1.417 0.506 0.00 0.00 +0.264 C ATOM 36 O LIG 1 -5.234 1.803 0.033 0.00 0.00 -0.268 OA BRANCH 35 37 ATOM 37 C LIG 1 -3.268 2.262 1.287 0.00 0.00 +0.143 A ATOM 38 N LIG 1 -2.005 1.834 1.683 0.00 0.00 -0.231 NA ATOM 39 C LIG 1 -1.477 2.854 2.323 0.00 0.00 +0.199 A ATOM 40 N LIG 1 -2.333 3.918 2.357 0.00 0.00 -0.339 N ATOM 41 C LIG 1 -2.056 5.189 2.975 0.00 0.00 +0.150 C ATOM 42 C LIG 1 -3.477 3.562 1.705 0.00 0.00 +0.119 A ENDBRANCH 35 37 ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 2 25 TORSDOF 11