REMARK Name = BDB064877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.580 -1.438 1.485 0.00 0.00 +0.000 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -1.394 -0.601 0.114 0.00 0.00 +0.000 N ATOM 3 H LIG 1 -1.757 -1.583 0.131 0.00 0.00 +0.000 HD ATOM 4 C LIG 1 -0.156 -0.324 0.784 0.00 0.00 +0.000 C ATOM 5 O LIG 1 0.294 0.854 0.818 0.00 0.00 +0.000 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.143 0.433 -0.603 0.00 0.00 +0.000 C BRANCH 6 7 ATOM 7 B LIG 1 -3.707 0.059 -0.668 0.00 0.00 +0.000 B ATOM 8 O LIG 1 -4.575 0.821 -1.557 0.00 0.00 +0.000 OA ATOM 9 C LIG 1 -5.385 1.525 -0.648 0.00 0.00 +0.000 C ATOM 10 C LIG 1 -5.271 0.757 0.746 0.00 0.00 +0.000 C ATOM 11 C LIG 1 -6.631 0.148 1.284 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -7.824 0.364 0.309 0.00 0.00 +0.000 C ATOM 13 C LIG 1 -7.925 1.841 -0.119 0.00 0.00 +0.000 C ATOM 14 C LIG 1 -9.294 2.164 -0.771 0.00 0.00 +0.000 C ATOM 15 C LIG 1 -7.652 2.920 0.960 0.00 0.00 +0.000 C ATOM 16 C LIG 1 -7.309 0.019 -1.090 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -4.852 2.979 -0.598 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -6.855 1.489 -1.190 0.00 0.00 +0.000 C ATOM 19 O LIG 1 -4.361 -0.298 0.578 0.00 0.00 +0.000 OA ENDBRANCH 6 7 BRANCH 6 20 ATOM 20 C LIG 1 -1.515 0.751 -1.987 0.00 0.00 +0.000 C BRANCH 20 22 ATOM 21 C LIG 1 0.042 -1.246 -2.517 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -1.188 -0.429 -2.946 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -2.383 -1.348 -3.232 0.00 0.00 +0.000 C ENDBRANCH 20 22 ENDBRANCH 6 20 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 1.989 -1.078 1.699 0.00 0.00 +0.000 N ATOM 25 H LIG 1 2.206 -0.210 2.238 0.00 0.00 +0.000 HD ATOM 26 C LIG 1 3.082 -1.849 1.177 0.00 0.00 +0.000 C ATOM 27 O LIG 1 2.872 -2.703 0.273 0.00 0.00 +0.000 OA BRANCH 26 28 ATOM 28 C LIG 1 4.465 -1.631 1.659 0.00 0.00 +0.000 A ATOM 29 C LIG 1 4.728 -1.271 2.998 0.00 0.00 +0.000 A ATOM 30 F LIG 1 3.725 -1.161 3.907 0.00 0.00 +0.000 F ATOM 31 C LIG 1 6.043 -1.075 3.427 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.108 -1.238 2.538 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.868 -1.592 1.201 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.546 -1.811 0.775 0.00 0.00 +0.000 A BRANCH 33 35 ATOM 35 C LIG 1 8.025 -1.797 0.253 0.00 0.00 +0.000 C BRANCH 35 36 ATOM 36 C LIG 1 7.825 -1.061 -1.050 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.854 0.348 -1.156 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.622 0.935 -2.425 0.00 0.00 +0.000 A ATOM 39 C LIG 1 7.635 2.336 -2.558 0.00 0.00 +0.000 A ATOM 40 C LIG 1 7.878 3.147 -1.450 0.00 0.00 +0.000 A ATOM 41 C LIG 1 8.118 2.574 -0.202 0.00 0.00 +0.000 A ATOM 42 C LIG 1 7.385 0.098 -3.528 0.00 0.00 +0.000 A ATOM 43 O LIG 1 7.179 0.582 -4.675 0.00 0.00 +0.000 OA ATOM 44 N LIG 1 7.381 -1.249 -3.359 0.00 0.00 +0.000 N ATOM 45 H LIG 1 7.207 -1.873 -4.179 0.00 0.00 +0.000 HD ATOM 46 C LIG 1 8.110 1.185 -0.051 0.00 0.00 +0.000 A ATOM 47 N LIG 1 7.592 -1.801 -2.166 0.00 0.00 +0.000 NA ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 26 28 ENDBRANCH 1 24 BRANCH 1 48 ATOM 48 C LIG 1 -0.111 -1.821 2.820 0.00 0.00 +0.000 C ATOM 49 C LIG 1 0.523 -3.082 3.423 0.00 0.00 +0.000 C ATOM 50 C LIG 1 -0.110 -0.681 3.853 0.00 0.00 +0.000 C ENDBRANCH 1 48 TORSDOF 10