REMARK Name = BDB030384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.045 -0.414 1.392 0.00 0.00 -0.004 A ATOM 2 C LIG 1 2.445 -0.964 0.174 0.00 0.00 +0.164 A ATOM 3 F LIG 1 1.667 -1.877 -0.427 0.00 0.00 -0.202 F ATOM 4 C LIG 1 3.637 -0.579 -0.441 0.00 0.00 +0.180 A ATOM 5 F LIG 1 3.920 -1.112 -1.640 0.00 0.00 -0.200 F ATOM 6 C LIG 1 4.490 0.375 0.138 0.00 0.00 +0.082 A ATOM 7 C LIG 1 4.087 0.924 1.380 0.00 0.00 +0.061 A ATOM 8 C LIG 1 2.876 0.541 1.990 0.00 0.00 +0.021 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 4.933 1.953 2.047 0.00 0.00 +0.243 C ATOM 10 O LIG 1 5.616 2.737 1.401 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 4.941 1.970 3.415 0.00 0.00 -0.325 N ATOM 12 H LIG 1 4.647 1.173 3.961 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 5.626 2.586 3.839 0.00 0.00 +0.145 HD ENDBRANCH 7 9 BRANCH 6 14 ATOM 14 N LIG 1 5.727 0.750 -0.432 0.00 0.00 -0.309 N ATOM 15 H LIG 1 6.027 1.696 -0.162 0.00 0.00 +0.152 HD BRANCH 14 16 ATOM 16 C LIG 1 6.662 0.096 -1.254 0.00 0.00 +0.067 A ATOM 17 C LIG 1 7.585 0.869 -1.982 0.00 0.00 +0.145 A ATOM 18 F LIG 1 7.571 2.205 -1.850 0.00 0.00 -0.204 F ATOM 19 C LIG 1 8.523 0.298 -2.839 0.00 0.00 +0.054 A ATOM 20 C LIG 1 8.550 -1.083 -2.986 0.00 0.00 +0.016 A ATOM 21 I LIG 1 9.937 -1.963 -4.257 0.00 0.00 -0.044 I ATOM 22 C LIG 1 7.650 -1.881 -2.281 0.00 0.00 +0.016 A ATOM 23 C LIG 1 6.712 -1.291 -1.422 0.00 0.00 +0.027 A ENDBRANCH 14 16 ENDBRANCH 6 14 BRANCH 1 24 ATOM 24 C LIG 1 0.733 -0.814 2.022 0.00 0.00 +0.076 C BRANCH 24 28 ATOM 25 C LIG 1 -2.489 -0.397 0.016 0.00 0.00 +0.084 A ATOM 26 C LIG 1 -1.371 -0.964 0.639 0.00 0.00 +0.149 A ATOM 27 F LIG 1 -1.166 -2.286 0.521 0.00 0.00 -0.203 F ATOM 28 C LIG 1 -0.471 -0.183 1.369 0.00 0.00 -0.006 A ATOM 29 C LIG 1 -0.720 1.194 1.477 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -1.840 1.765 0.864 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -2.727 0.969 0.138 0.00 0.00 +0.027 A BRANCH 25 32 ATOM 32 N LIG 1 -3.424 -1.245 -0.672 0.00 0.00 -0.204 N ATOM 33 H LIG 1 -2.966 -2.101 -0.996 0.00 0.00 +0.175 HD BRANCH 32 34 ATOM 34 S LIG 1 -4.756 -1.736 0.234 0.00 0.00 +0.110 S ATOM 35 O LIG 1 -5.440 -2.753 -0.525 0.00 0.00 -0.138 OA ATOM 36 O LIG 1 -4.369 -1.949 1.607 0.00 0.00 -0.138 OA BRANCH 34 37 ATOM 37 N LIG 1 -5.690 -0.340 0.215 0.00 0.00 -0.171 NA ATOM 38 H LIG 1 -6.047 -0.218 1.164 0.00 0.00 +0.150 HD BRANCH 37 40 ATOM 39 C LIG 1 -6.039 0.112 -2.216 0.00 0.00 +0.029 C ATOM 40 C LIG 1 -6.702 0.022 -0.848 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -8.041 -0.776 -0.815 0.00 0.00 +0.023 C ATOM 42 C LIG 1 -8.623 0.338 0.075 0.00 0.00 +0.004 C ATOM 43 C LIG 1 -7.557 1.284 -0.508 0.00 0.00 +0.023 C ENDBRANCH 37 40 ENDBRANCH 34 37 ENDBRANCH 32 34 ENDBRANCH 25 32 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 9