REMARK Name = BDB009484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.458 -0.768 -0.039 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.379 -1.738 -1.034 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.462 -2.776 -0.921 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.175 -1.644 -2.170 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.079 -0.586 -2.300 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.202 0.378 -1.286 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.375 0.285 -0.158 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 8 C LIG 1 2.420 -1.123 2.405 0.00 0.00 +0.132 C ATOM 9 N LIG 1 1.736 -0.944 1.129 0.00 0.00 -0.297 N ATOM 10 C LIG 1 0.338 -0.874 1.195 0.00 0.00 +0.249 C ATOM 11 O LIG 1 -0.294 -0.880 2.251 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 2.527 -0.460 -0.030 0.00 0.00 +0.079 C ATOM 13 C LIG 1 3.500 -1.525 -0.557 0.00 0.00 +0.041 C ATOM 14 C LIG 1 4.645 -0.884 -1.328 0.00 0.00 +0.110 C ATOM 15 N LIG 1 5.419 0.014 -0.476 0.00 0.00 -0.296 N ATOM 16 C LIG 1 6.790 0.152 -0.737 0.00 0.00 +0.265 C ATOM 17 O LIG 1 7.288 -0.329 -1.757 0.00 0.00 -0.268 OA ATOM 18 C LIG 1 4.693 0.764 0.550 0.00 0.00 +0.110 C ATOM 19 C LIG 1 3.205 0.896 0.239 0.00 0.00 +0.041 C BRANCH 16 20 ATOM 20 C LIG 1 7.645 0.871 0.230 0.00 0.00 +0.133 A ATOM 21 N LIG 1 7.269 1.177 1.542 0.00 0.00 -0.243 NA ATOM 22 C LIG 1 8.253 1.786 2.163 0.00 0.00 +0.156 A ATOM 23 S LIG 1 9.682 2.034 1.255 0.00 0.00 -0.083 S ATOM 24 C LIG 1 8.941 1.258 -0.079 0.00 0.00 +0.079 A ENDBRANCH 16 20 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 C LIG 1 -3.198 1.510 -1.411 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -4.625 1.034 -1.656 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -5.442 0.545 -0.491 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -4.910 0.459 0.791 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -3.908 0.282 0.812 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -5.629 -0.267 1.836 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -7.120 0.037 1.729 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -7.647 -0.267 0.320 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -6.713 0.206 -0.759 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -7.230 0.269 -2.143 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -8.383 -0.049 -2.418 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -6.343 0.688 -3.099 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -6.684 0.744 -4.053 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -5.060 1.086 -2.882 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 5