REMARK Name = BDB050408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.337 -1.212 -0.633 0.00 0.00 +0.080 A ATOM 2 N LIG 1 -1.329 -1.422 -1.552 0.00 0.00 -0.325 N ATOM 3 C LIG 1 -0.824 -2.678 -1.338 0.00 0.00 +0.200 A ATOM 4 N LIG 1 -1.409 -3.271 -0.328 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 -2.358 -2.379 0.121 0.00 0.00 +0.097 A ENDROOT BRANCH 1 7 ATOM 6 CA LIG 1 -3.824 0.816 -1.459 0.00 0.00 +0.135 A ATOM 7 C LIG 1 -3.196 0.090 -0.453 0.00 0.00 +0.040 A ATOM 8 C LIG 1 -3.481 0.729 0.800 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -4.251 1.855 0.519 0.00 0.00 +0.049 A ATOM 10 C LIG 1 -4.717 2.732 1.509 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -4.364 2.455 2.831 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -3.568 1.361 3.152 0.00 0.00 +0.021 A ATOM 13 CL LIG 1 -4.911 3.503 4.085 0.00 0.00 -0.083 Cl ATOM 14 C LIG 1 -3.111 0.501 2.145 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -4.415 1.899 -0.841 0.00 0.00 -0.348 N ATOM 16 H LIG 1 -4.949 2.603 -1.335 0.00 0.00 +0.166 HD BRANCH 6 18 ATOM 17 O LIG 1 -4.540 1.424 -3.636 0.00 0.00 -0.243 OA ATOM 18 C LIG 1 -4.030 0.623 -2.868 0.00 0.00 +0.354 C BRANCH 18 19 ATOM 19 OXT LIG 1 -3.643 -0.588 -3.305 0.00 0.00 -0.476 OA ATOM 20 HXT LIG 1 -3.932 -0.599 -4.240 0.00 0.00 +0.295 HD ENDBRANCH 18 19 ENDBRANCH 6 18 ENDBRANCH 1 7 BRANCH 5 21 ATOM 21 C LIG 1 -3.273 -2.753 1.187 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -4.652 -2.508 1.097 0.00 0.00 +0.013 A ATOM 23 C LIG 1 -5.504 -2.885 2.138 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -4.981 -3.522 3.257 0.00 0.00 +0.123 A ATOM 25 F LIG 1 -5.801 -3.884 4.253 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -3.623 -3.796 3.354 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -2.770 -3.418 2.316 0.00 0.00 +0.013 A ENDBRANCH 5 21 BRANCH 2 28 ATOM 28 C LIG 1 -0.727 -0.464 -2.464 0.00 0.00 +0.158 C BRANCH 28 29 ATOM 29 C LIG 1 0.665 -0.066 -2.031 0.00 0.00 -0.027 A ATOM 30 C LIG 1 1.789 -0.474 -2.764 0.00 0.00 +0.009 A ATOM 31 C LIG 1 3.078 -0.106 -2.361 0.00 0.00 +0.046 A ATOM 32 C LIG 1 3.261 0.677 -1.221 0.00 0.00 +0.121 A ATOM 33 C LIG 1 2.144 1.088 -0.491 0.00 0.00 +0.046 A ATOM 34 C LIG 1 0.857 0.722 -0.889 0.00 0.00 +0.009 A BRANCH 32 35 ATOM 35 O LIG 1 4.458 1.105 -0.718 0.00 0.00 -0.487 OA BRANCH 35 36 ATOM 36 C LIG 1 5.636 0.688 -1.400 0.00 0.00 +0.264 C BRANCH 36 37 ATOM 37 C LIG 1 6.817 1.260 -0.655 0.00 0.00 -0.005 A ATOM 38 C LIG 1 7.314 2.533 -0.976 0.00 0.00 +0.048 A ATOM 39 C LIG 1 8.388 3.065 -0.263 0.00 0.00 +0.162 A ATOM 40 F LIG 1 8.851 4.278 -0.593 0.00 0.00 -0.202 F ATOM 41 C LIG 1 8.973 2.352 0.774 0.00 0.00 +0.193 A ATOM 42 F LIG 1 10.007 2.871 1.451 0.00 0.00 -0.199 F ATOM 43 C LIG 1 8.477 1.099 1.106 0.00 0.00 +0.162 A ATOM 44 F LIG 1 9.027 0.401 2.109 0.00 0.00 -0.202 F ATOM 45 C LIG 1 7.404 0.549 0.405 0.00 0.00 +0.048 A ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 9