REMARK Name = BDB024915 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.856 1.249 -0.222 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.034 0.118 -0.070 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.601 -1.242 -0.244 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.558 -1.601 0.908 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.564 -2.371 -0.342 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.366 -1.929 -1.151 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.762 -0.749 -0.450 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.365 -0.592 -0.330 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.367 -1.429 -0.753 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -0.776 -0.870 -0.398 0.00 0.00 +0.143 A ATOM 11 N LIG 1 -0.540 0.358 0.211 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.832 0.527 0.293 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.647 1.524 0.834 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.034 1.365 0.708 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.608 0.257 0.070 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.501 2.421 -0.152 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.543 1.288 0.732 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.581 1.284 2.269 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.728 2.155 2.799 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.828 3.520 2.090 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.645 3.809 1.171 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.449 2.707 0.132 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.030 1.381 2.701 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.888 1.485 1.841 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.160 0.475 3.690 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.004 0.020 3.483 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.026 2.028 -0.696 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.150 0.914 -0.514 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.139 -1.512 -0.620 0.00 0.00 +0.124 C ATOM 30 C LIG 1 -1.980 -3.017 -0.904 0.00 0.00 +0.050 C BRANCH 29 31 ATOM 31 O LIG 1 -2.849 -1.385 0.621 0.00 0.00 -0.381 OA ATOM 32 H LIG 1 -2.412 -1.988 1.248 0.00 0.00 +0.211 HD ENDBRANCH 29 31 BRANCH 29 33 ATOM 33 C LIG 1 -2.877 -0.802 -1.785 0.00 0.00 +0.077 C BRANCH 33 34 ATOM 34 C LIG 1 -4.260 -1.330 -2.099 0.00 0.00 -0.044 A ATOM 35 C LIG 1 -5.349 -0.994 -1.284 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -6.626 -1.476 -1.573 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.828 -2.298 -2.680 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.752 -2.638 -3.499 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.474 -2.155 -3.212 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 10 29 TORSDOF 8