REMARK Name = BDB035892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.202 3.638 1.744 0.00 0.00 +0.047 C ATOM 2 C LIG 1 2.345 2.164 1.491 0.00 0.00 -0.007 A ATOM 3 C LIG 1 1.274 1.413 0.985 0.00 0.00 +0.141 A ATOM 4 C LIG 1 1.422 0.046 0.759 0.00 0.00 +0.065 A ATOM 5 C LIG 1 0.284 -0.725 0.224 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -0.981 0.026 -0.019 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -0.960 1.343 0.243 0.00 0.00 +0.208 A ATOM 8 O LIG 1 0.396 -1.925 -0.003 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 2.636 -0.591 1.034 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.722 0.140 1.534 0.00 0.00 -0.032 A ATOM 11 O LIG 1 0.098 2.072 0.726 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 3.561 1.516 1.763 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -2.198 -0.619 -0.549 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -3.455 -0.387 0.038 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -4.651 -0.975 -0.438 0.00 0.00 -0.033 A ATOM 16 C LIG 1 -4.520 -1.834 -1.546 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -3.283 -2.087 -2.141 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.130 -1.482 -1.645 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 -6.054 -0.654 0.264 0.00 0.00 +0.058 C ATOM 20 C LIG 1 -7.279 -1.604 0.029 0.00 0.00 +0.037 C ATOM 21 C LIG 1 -7.655 -1.423 1.522 0.00 0.00 +0.094 C ATOM 22 C LIG 1 -6.167 -1.088 1.773 0.00 0.00 +0.037 C BRANCH 19 23 ATOM 23 C LIG 1 -6.438 0.871 0.029 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.590 1.527 -1.162 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -6.436 1.005 -2.492 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -6.920 2.808 -0.844 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -6.973 2.937 0.460 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -6.668 1.717 1.012 0.00 0.00 -0.134 NA ENDBRANCH 19 23 BRANCH 21 29 ATOM 29 C LIG 1 -8.155 -2.607 2.184 0.00 0.00 +0.066 C ATOM 30 N LIG 1 -8.556 -3.566 2.698 0.00 0.00 -0.196 NA ENDBRANCH 21 29 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 31 ATOM 31 C LIG 1 5.042 -0.544 1.828 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 6.013 -0.613 0.727 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 6.487 0.699 0.277 0.00 0.00 +0.088 C ATOM 34 C LIG 1 7.674 0.571 -0.696 0.00 0.00 +0.000 C ATOM 35 C LIG 1 8.939 0.084 0.019 0.00 0.00 +0.009 C ATOM 36 C LIG 1 7.301 -0.344 -1.870 0.00 0.00 +0.006 C ATOM 37 C LIG 1 6.706 -1.667 -1.394 0.00 0.00 +0.016 C ATOM 38 C LIG 1 5.569 -1.444 -0.395 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 6