REMARK Name = BDB007076 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.418 0.916 -0.724 0.00 0.00 +0.140 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.321 2.311 -0.102 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.022 2.541 1.248 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -0.071 3.821 1.801 0.00 0.00 +0.113 A ATOM 5 C LIG 1 0.149 4.929 0.962 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.054 6.208 1.526 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -0.250 6.348 2.875 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -0.450 5.200 3.619 0.00 0.00 +0.111 A ATOM 9 C LIG 1 0.458 4.731 -0.392 0.00 0.00 +0.010 A ATOM 10 N LIG 1 -0.368 3.949 3.114 0.00 0.00 -0.251 NA ATOM 11 C LIG 1 0.543 3.438 -0.914 0.00 0.00 +0.010 A BRANCH 3 12 ATOM 12 O LIG 1 -0.182 1.480 2.102 0.00 0.00 -0.504 OA ATOM 13 H LIG 1 -0.356 1.909 2.968 0.00 0.00 +0.292 HD ENDBRANCH 3 12 ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 C LIG 1 -0.944 0.212 -0.828 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -1.386 -0.851 -0.017 0.00 0.00 +0.170 A ATOM 16 C LIG 1 -2.634 -1.460 -0.274 0.00 0.00 +0.204 A ATOM 17 C LIG 1 -3.506 -0.958 -1.255 0.00 0.00 +0.165 A ATOM 18 C LIG 1 -3.090 0.121 -2.029 0.00 0.00 +0.050 A ATOM 19 C LIG 1 -1.827 0.687 -1.825 0.00 0.00 +0.013 A BRANCH 15 20 ATOM 20 O LIG 1 -0.543 -1.324 0.960 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 -1.155 -1.433 2.246 0.00 0.00 +0.277 C ENDBRANCH 15 20 BRANCH 16 22 ATOM 22 O LIG 1 -3.032 -2.557 0.460 0.00 0.00 -0.488 OA ATOM 23 C LIG 1 -2.589 -3.749 -0.191 0.00 0.00 +0.277 C ENDBRANCH 16 22 BRANCH 17 24 ATOM 24 O LIG 1 -4.707 -1.604 -1.392 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 -5.675 -1.004 -2.243 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 1 14 BRANCH 1 26 ATOM 26 N LIG 1 1.472 0.168 -0.044 0.00 0.00 -0.316 N ATOM 27 H LIG 1 1.108 -0.154 0.855 0.00 0.00 +0.148 HD BRANCH 26 31 ATOM 28 C LIG 1 3.413 -2.933 -0.664 0.00 0.00 +0.011 A ATOM 29 C LIG 1 2.797 -1.851 -0.022 0.00 0.00 +0.167 A ATOM 30 F LIG 1 2.941 -1.711 1.307 0.00 0.00 -0.202 F ATOM 31 C LIG 1 2.024 -0.921 -0.737 0.00 0.00 +0.155 A ATOM 32 N LIG 1 1.886 -1.018 -2.078 0.00 0.00 -0.236 NA ATOM 33 C LIG 1 2.489 -2.063 -2.695 0.00 0.00 +0.133 A ATOM 34 C LIG 1 3.250 -3.029 -2.046 0.00 0.00 +0.065 A ATOM 35 CL LIG 1 3.960 -4.288 -2.984 0.00 0.00 -0.082 Cl BRANCH 28 37 ATOM 36 C LIG 1 5.697 -3.490 0.212 0.00 0.00 +0.009 C ATOM 37 C LIG 1 4.234 -3.901 0.146 0.00 0.00 +0.036 C ENDBRANCH 28 37 ENDBRANCH 26 31 ENDBRANCH 1 26 TORSDOF 9