REMARK Name = BDB011730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.579 0.826 -0.451 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.575 0.629 0.516 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.473 1.488 0.568 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.640 -0.486 1.358 0.00 0.00 -0.259 N ATOM 5 C LIG 1 -0.034 -1.785 1.234 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -1.037 -2.161 0.291 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -1.552 -3.485 0.300 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.158 -4.437 1.230 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.209 -4.092 2.163 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.545 -1.327 -0.747 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.868 -1.326 -1.231 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -3.181 -0.876 -2.333 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 0.341 -2.805 2.152 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.634 -0.381 -1.352 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -3.984 -1.777 -0.356 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -4.999 -2.561 -0.912 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -6.073 -2.976 -0.120 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -6.153 -2.592 1.227 0.00 0.00 +0.017 A ATOM 19 C LIG 1 -5.147 -1.784 1.773 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -4.070 -1.370 0.981 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 -7.323 -3.058 2.030 0.00 0.00 +0.160 C ATOM 22 O LIG 1 -8.124 -3.850 1.538 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 -7.494 -2.547 3.436 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -0.849 3.273 -0.753 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -0.386 2.057 -1.210 0.00 0.00 -0.301 N ATOM 26 H LIG 1 0.350 2.120 -1.909 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -1.587 3.381 0.223 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -0.277 4.479 -1.534 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -1.123 5.734 -1.345 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -1.223 3.934 -3.744 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -0.006 4.133 -2.956 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 0.515 4.905 -3.375 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 1.611 -0.297 2.464 0.00 0.00 +0.209 C BRANCH 33 34 ATOM 34 C LIG 1 3.022 -0.815 2.137 0.00 0.00 +0.235 C ATOM 35 N LIG 1 3.644 -0.093 1.133 0.00 0.00 -0.284 N ATOM 36 H LIG 1 3.110 0.704 0.792 0.00 0.00 +0.155 HD ATOM 37 O LIG 1 3.494 -1.757 2.768 0.00 0.00 -0.274 OA BRANCH 35 38 ATOM 38 C LIG 1 4.916 -0.306 0.542 0.00 0.00 +0.041 A ATOM 39 C LIG 1 5.405 0.624 -0.435 0.00 0.00 +0.003 A ATOM 40 C LIG 1 6.673 0.377 -1.029 0.00 0.00 -0.016 A ATOM 41 C LIG 1 7.195 1.258 -1.992 0.00 0.00 +0.008 A ATOM 42 C LIG 1 6.494 2.393 -2.386 0.00 0.00 +0.001 A ATOM 43 C LIG 1 5.257 2.662 -1.821 0.00 0.00 +0.001 A ATOM 44 C LIG 1 7.416 -0.751 -0.661 0.00 0.00 +0.008 A ATOM 45 C LIG 1 6.931 -1.642 0.288 0.00 0.00 +0.002 A ATOM 46 C LIG 1 4.723 1.795 -0.863 0.00 0.00 +0.010 A ATOM 47 C LIG 1 5.692 -1.421 0.883 0.00 0.00 +0.024 A ENDBRANCH 35 38 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 8