REMARK Name = BDB031807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.072 -0.358 0.558 0.00 0.00 +0.154 A ATOM 2 C LIG 1 -1.010 0.594 0.689 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -0.069 -0.020 1.503 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.137 0.586 1.876 0.00 0.00 +0.031 A ATOM 5 C LIG 1 1.422 1.877 1.391 0.00 0.00 -0.041 A ATOM 6 C LIG 1 0.464 2.513 0.584 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -0.603 -1.241 1.800 0.00 0.00 -0.275 N ATOM 8 H LIG 1 -0.199 -1.971 2.375 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -0.743 1.894 0.221 0.00 0.00 +0.014 A ATOM 10 N LIG 1 -1.804 -1.466 1.255 0.00 0.00 -0.157 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 2.715 2.565 1.769 0.00 0.00 +0.040 C ATOM 12 C LIG 1 4.064 2.042 1.317 0.00 0.00 +0.081 C ATOM 13 C LIG 1 4.295 0.826 0.465 0.00 0.00 -0.010 A ATOM 14 C LIG 1 5.456 0.191 0.934 0.00 0.00 +0.038 A ATOM 15 C LIG 1 5.968 -0.965 0.383 0.00 0.00 +0.024 A ATOM 16 C LIG 1 5.280 -1.512 -0.702 0.00 0.00 +0.014 A ATOM 17 C LIG 1 4.114 -0.896 -1.218 0.00 0.00 +0.055 A ATOM 18 N LIG 1 5.983 0.915 2.005 0.00 0.00 -0.284 N ATOM 19 H LIG 1 6.822 0.685 2.515 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 3.624 0.282 -0.622 0.00 0.00 +0.019 A ATOM 21 C LIG 1 5.223 2.036 2.287 0.00 0.00 +0.228 C ATOM 22 O LIG 1 5.426 2.873 3.150 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 3.530 3.320 0.739 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 C LIG 1 3.381 -1.523 -2.383 0.00 0.00 +0.417 C ATOM 25 F LIG 1 4.224 -2.095 -3.288 0.00 0.00 -0.166 F ATOM 26 F LIG 1 2.533 -2.510 -1.987 0.00 0.00 -0.166 F ATOM 27 F LIG 1 2.629 -0.634 -3.088 0.00 0.00 -0.166 F ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 N LIG 1 -3.179 -0.088 -0.172 0.00 0.00 -0.279 N ATOM 29 H LIG 1 -3.234 0.789 -0.675 0.00 0.00 +0.155 HD BRANCH 28 31 ATOM 30 C LIG 1 -5.327 -0.346 -1.224 0.00 0.00 +0.178 A ATOM 31 C LIG 1 -4.232 -0.941 -0.591 0.00 0.00 +0.170 A ATOM 32 N LIG 1 -4.192 -2.266 -0.352 0.00 0.00 -0.214 NA ATOM 33 C LIG 1 -5.235 -3.012 -0.747 0.00 0.00 +0.128 A ATOM 34 C LIG 1 -5.190 -4.476 -0.442 0.00 0.00 +0.088 C ATOM 35 N LIG 1 -6.331 -2.531 -1.358 0.00 0.00 -0.237 NA ATOM 36 C LIG 1 -6.347 -1.203 -1.584 0.00 0.00 +0.162 A BRANCH 30 38 ATOM 37 C LIG 1 -6.441 1.602 -2.001 0.00 0.00 +0.277 C ATOM 38 O LIG 1 -5.278 1.006 -1.438 0.00 0.00 -0.490 OA ENDBRANCH 30 38 ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 5