REMARK Name = BDB024664 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.531 -1.376 -0.675 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.505 -1.458 0.282 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.627 -2.536 1.288 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.755 -2.243 2.291 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.347 -2.825 2.088 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.123 -2.698 1.206 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.092 -1.290 0.687 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.896 -0.548 0.611 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.368 -0.916 0.982 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.157 0.101 0.699 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.422 1.157 0.187 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.901 0.748 0.115 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.078 1.370 -0.310 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.263 0.623 -0.241 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.289 -0.698 0.228 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.568 -2.033 -0.617 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.885 2.503 -0.188 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.189 3.343 1.062 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -1.601 4.790 0.788 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -2.994 4.904 0.177 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -3.036 4.822 -1.346 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -2.111 3.807 -2.012 0.00 0.00 +0.002 C ATOM 23 C LIG 1 -1.978 2.477 -1.272 0.00 0.00 +0.025 C ENDBRANCH 11 17 BRANCH 1 25 ATOM 24 C LIG 1 6.272 -0.520 -2.735 0.00 0.00 +0.282 C ATOM 25 O LIG 1 5.259 -0.554 -1.729 0.00 0.00 -0.453 OA ENDBRANCH 1 25 BRANCH 10 26 ATOM 26 C LIG 1 -2.635 0.071 0.942 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -3.409 -0.656 -0.176 0.00 0.00 +0.135 C BRANCH 27 28 ATOM 28 C LIG 1 -3.302 -2.171 -0.291 0.00 0.00 -0.033 A ATOM 29 C LIG 1 -3.676 -2.781 -1.504 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -3.619 -4.167 -1.661 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.190 -4.969 -0.609 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.818 -4.384 0.599 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.877 -2.997 0.758 0.00 0.00 +0.004 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -4.861 -0.231 -0.073 0.00 0.00 +0.313 C ATOM 35 O LIG 1 -5.488 0.371 -0.932 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -5.454 -0.566 1.090 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -6.387 -0.290 0.977 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 26 27 ENDBRANCH 10 26 TORSDOF 7