REMARK Name = BDB011745 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.357 2.664 0.875 0.00 0.00 +0.247 C ATOM 2 C LIG 1 1.688 2.197 0.330 0.00 0.00 +0.249 C ATOM 3 O LIG 1 2.639 2.989 0.338 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.764 0.925 -0.239 0.00 0.00 -0.267 N ATOM 5 C LIG 1 0.774 0.649 -1.243 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.615 0.614 -0.956 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -1.510 0.456 -2.028 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.073 0.265 -3.334 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.277 0.232 -3.607 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.141 0.713 0.377 0.00 0.00 -0.263 N ATOM 11 C LIG 1 1.188 0.438 -2.573 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -0.602 1.578 1.338 0.00 0.00 +0.250 C ATOM 13 O LIG 1 -0.984 1.566 2.520 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 -0.688 4.873 0.463 0.00 0.00 +0.231 C ATOM 15 N LIG 1 -0.307 3.629 -0.004 0.00 0.00 -0.295 N ATOM 16 H LIG 1 -0.869 3.288 -0.783 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 -0.327 5.340 1.546 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 -1.597 5.635 -0.529 0.00 0.00 +0.140 C BRANCH 18 19 ATOM 19 N LIG 1 -2.567 4.702 -1.159 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 -3.038 5.201 -1.917 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -3.570 4.214 -0.229 0.00 0.00 +0.101 C ENDBRANCH 18 19 BRANCH 18 23 ATOM 22 C LIG 1 -3.024 7.757 -0.833 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -2.190 6.896 0.112 0.00 0.00 +0.025 C ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 1 15 BRANCH 4 24 ATOM 24 C LIG 1 3.126 0.406 -0.380 0.00 0.00 +0.120 C BRANCH 24 25 ATOM 25 C LIG 1 3.329 -1.110 -0.058 0.00 0.00 -0.012 C ATOM 26 C LIG 1 2.641 -1.491 1.284 0.00 0.00 +0.012 C ATOM 27 C LIG 1 2.930 -2.964 1.657 0.00 0.00 -0.010 C ATOM 28 C LIG 1 4.442 -3.150 1.811 0.00 0.00 +0.007 C ATOM 29 C LIG 1 5.155 -2.823 0.485 0.00 0.00 -0.010 C ATOM 30 C LIG 1 4.631 -3.749 -0.625 0.00 0.00 +0.007 C ATOM 31 C LIG 1 3.119 -3.549 -0.796 0.00 0.00 -0.010 C ATOM 32 C LIG 1 2.415 -3.887 0.534 0.00 0.00 +0.007 C ATOM 33 C LIG 1 4.861 -1.365 0.099 0.00 0.00 +0.012 C ATOM 34 C LIG 1 2.823 -2.072 -1.165 0.00 0.00 +0.012 C ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 10 35 ATOM 35 C LIG 1 -2.410 0.031 0.740 0.00 0.00 +0.153 C BRANCH 35 36 ATOM 36 C LIG 1 -2.446 -1.486 0.591 0.00 0.00 +0.020 A ATOM 37 C LIG 1 -1.734 -2.332 1.503 0.00 0.00 -0.010 A ATOM 38 C LIG 1 -1.822 -3.738 1.355 0.00 0.00 -0.017 A ATOM 39 C LIG 1 -1.160 -4.598 2.246 0.00 0.00 +0.008 A ATOM 40 C LIG 1 -0.408 -4.093 3.301 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -0.317 -2.723 3.480 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -2.598 -4.284 0.333 0.00 0.00 +0.012 A ATOM 43 C LIG 1 -3.325 -3.465 -0.527 0.00 0.00 +0.046 A ATOM 44 C LIG 1 -0.964 -1.862 2.592 0.00 0.00 +0.009 A ATOM 45 C LIG 1 -3.274 -2.075 -0.395 0.00 0.00 +0.125 A BRANCH 45 46 ATOM 46 O LIG 1 -4.030 -1.222 -1.159 0.00 0.00 -0.495 OA ATOM 47 C LIG 1 -4.909 -1.788 -2.131 0.00 0.00 +0.277 C ENDBRANCH 45 46 ENDBRANCH 35 36 ENDBRANCH 10 35 TORSDOF 9