REMARK Name = BDB019628 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.514 -0.096 1.146 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.846 -1.449 1.015 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.971 -1.831 0.274 0.00 0.00 -0.001 A ATOM 4 C LIG 1 -2.776 -0.852 -0.320 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.462 0.509 -0.193 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.333 0.877 0.554 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.321 -3.241 0.139 0.00 0.00 +0.049 A ATOM 8 N LIG 1 -1.613 -4.156 -0.615 0.00 0.00 -0.350 N ATOM 9 C LIG 1 -0.440 -3.872 -1.414 0.00 0.00 +0.149 C ATOM 10 C LIG 1 -2.204 -5.391 -0.525 0.00 0.00 +0.086 A ATOM 11 C LIG 1 -3.314 -5.274 0.279 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -3.393 -3.924 0.690 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 15 ATOM 13 N LIG 1 1.696 -0.549 2.084 0.00 0.00 -0.307 N ATOM 14 H LIG 1 1.695 -1.399 1.541 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 0.676 0.363 1.919 0.00 0.00 +0.244 C ATOM 16 O LIG 1 0.726 1.513 2.341 0.00 0.00 -0.270 OA BRANCH 13 17 ATOM 17 C LIG 1 2.958 -0.171 2.680 0.00 0.00 +0.140 C BRANCH 17 22 ATOM 18 C LIG 1 5.870 -0.928 0.332 0.00 0.00 +0.124 A ATOM 19 C LIG 1 5.944 0.258 -0.405 0.00 0.00 +0.091 A ATOM 20 C LIG 1 5.057 1.306 -0.140 0.00 0.00 +0.124 A ATOM 21 C LIG 1 4.097 1.160 0.865 0.00 0.00 +0.051 A ATOM 22 C LIG 1 4.015 -0.018 1.618 0.00 0.00 -0.023 A ATOM 23 C LIG 1 4.905 -1.061 1.334 0.00 0.00 +0.051 A BRANCH 18 25 ATOM 24 C LIG 1 7.716 -1.932 -0.787 0.00 0.00 +0.277 C ATOM 25 O LIG 1 6.668 -2.029 0.169 0.00 0.00 -0.495 OA ENDBRANCH 18 25 BRANCH 20 26 ATOM 26 O LIG 1 5.019 2.510 -0.789 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 6.009 2.745 -1.781 0.00 0.00 +0.277 C ENDBRANCH 20 26 ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 1 15 BRANCH 5 28 ATOM 28 C LIG 1 -3.352 1.562 -0.804 0.00 0.00 +0.138 C BRANCH 28 29 ATOM 29 N LIG 1 -4.373 1.941 0.140 0.00 0.00 -0.329 N ATOM 30 H LIG 1 -4.668 1.221 0.792 0.00 0.00 +0.147 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.331 2.881 -0.086 0.00 0.00 +0.090 C ATOM 32 C LIG 1 -5.194 3.950 -1.134 0.00 0.00 +0.073 C ATOM 33 C LIG 1 -6.640 4.364 -1.258 0.00 0.00 +0.031 C ATOM 34 C LIG 1 -7.183 4.078 0.127 0.00 0.00 +0.143 C ATOM 35 N LIG 1 -6.422 2.915 0.621 0.00 0.00 -0.273 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 9