REMARK Name = BDB064863 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.056 -1.744 -0.697 0.00 0.00 +0.000 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.277 -1.462 -1.897 0.00 0.00 +0.000 C ATOM 3 N LIG 1 1.515 -1.901 -0.761 0.00 0.00 +0.000 N ATOM 4 H LIG 1 2.024 -2.313 0.052 0.00 0.00 +0.000 HD ATOM 5 O LIG 1 1.709 -0.821 -2.823 0.00 0.00 +0.000 OA BRANCH 2 8 ATOM 6 C LIG 1 5.963 -0.933 -2.604 0.00 0.00 +0.000 A ATOM 7 C LIG 1 4.573 -0.735 -2.539 0.00 0.00 +0.000 A ATOM 8 C LIG 1 3.733 -1.712 -1.979 0.00 0.00 +0.000 A ATOM 9 C LIG 1 4.295 -2.919 -1.520 0.00 0.00 +0.000 A ATOM 10 F LIG 1 3.513 -3.918 -1.040 0.00 0.00 +0.000 F ATOM 11 C LIG 1 5.675 -3.126 -1.602 0.00 0.00 +0.000 A ATOM 12 C LIG 1 6.505 -2.141 -2.139 0.00 0.00 +0.000 A BRANCH 6 13 ATOM 13 C LIG 1 6.860 0.127 -3.191 0.00 0.00 +0.000 C BRANCH 13 23 ATOM 14 C LIG 1 6.147 2.239 -1.189 0.00 0.00 +0.000 C ATOM 15 C LIG 1 7.529 1.617 -1.203 0.00 0.00 +0.000 A ATOM 16 C LIG 1 8.527 1.992 -0.266 0.00 0.00 +0.000 A ATOM 17 C LIG 1 8.257 3.030 0.802 0.00 0.00 +0.000 C ATOM 18 C LIG 1 9.788 1.371 -0.339 0.00 0.00 +0.000 A ATOM 19 O LIG 1 10.707 1.672 0.471 0.00 0.00 +0.000 OA ATOM 20 N LIG 1 10.025 0.432 -1.289 0.00 0.00 +0.000 N ATOM 21 H LIG 1 10.961 -0.029 -1.340 0.00 0.00 +0.000 HD ATOM 22 N LIG 1 9.089 0.080 -2.166 0.00 0.00 +0.000 NA ATOM 23 C LIG 1 7.850 0.634 -2.169 0.00 0.00 +0.000 A ENDBRANCH 13 23 ENDBRANCH 6 13 ENDBRANCH 2 8 ENDBRANCH 1 3 BRANCH 1 24 ATOM 24 C LIG 1 -0.327 -0.297 -0.510 0.00 0.00 +0.000 C ATOM 25 N LIG 1 -1.679 0.116 -0.749 0.00 0.00 +0.000 N ATOM 26 H LIG 1 -2.306 -0.537 -1.272 0.00 0.00 +0.000 HD ATOM 27 O LIG 1 0.534 0.540 -0.122 0.00 0.00 +0.000 OA BRANCH 25 28 ATOM 28 C LIG 1 -2.155 1.473 -0.470 0.00 0.00 +0.000 C BRANCH 28 29 ATOM 29 B LIG 1 -3.575 1.390 0.272 0.00 0.00 +0.000 B ATOM 30 O LIG 1 -4.714 0.851 -0.463 0.00 0.00 +0.000 OA ATOM 31 C LIG 1 -5.610 0.466 0.548 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -4.829 0.535 1.928 0.00 0.00 +0.000 C ATOM 33 C LIG 1 -4.610 -0.862 2.641 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -5.263 -2.051 1.874 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -6.715 -1.724 1.471 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -7.495 -2.995 1.036 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -7.592 -0.970 2.502 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -4.850 -1.892 0.410 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -6.786 1.465 0.485 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -6.094 -0.996 0.243 0.00 0.00 +0.000 C ATOM 41 O LIG 1 -3.589 1.150 1.708 0.00 0.00 +0.000 OA ENDBRANCH 28 29 BRANCH 28 42 ATOM 42 C LIG 1 -2.225 2.277 -1.789 0.00 0.00 +0.000 C BRANCH 42 43 ATOM 43 C LIG 1 -2.060 3.808 -1.613 0.00 0.00 +0.000 C ATOM 44 C LIG 1 -1.895 4.475 -2.986 0.00 0.00 +0.000 C ATOM 45 C LIG 1 -3.242 4.445 -0.867 0.00 0.00 +0.000 C ENDBRANCH 42 43 ENDBRANCH 28 42 ENDBRANCH 25 28 ENDBRANCH 1 24 BRANCH 1 46 ATOM 46 C LIG 1 -0.560 -2.643 0.400 0.00 0.00 +0.000 C BRANCH 46 47 ATOM 47 C LIG 1 -0.076 -2.326 1.798 0.00 0.00 +0.000 A ATOM 48 C LIG 1 -0.572 -1.208 2.491 0.00 0.00 +0.000 A ATOM 49 C LIG 1 -0.142 -0.934 3.793 0.00 0.00 +0.000 A ATOM 50 C LIG 1 0.779 -1.777 4.418 0.00 0.00 +0.000 A ATOM 51 C LIG 1 1.268 -2.899 3.744 0.00 0.00 +0.000 A ATOM 52 C LIG 1 0.839 -3.177 2.442 0.00 0.00 +0.000 A ENDBRANCH 46 47 ENDBRANCH 1 46 TORSDOF 11