REMARK Name = BDB035493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.023 -1.669 -0.394 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.388 -0.611 0.264 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.835 0.434 0.703 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.021 -0.990 0.417 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.058 -0.255 0.964 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.330 -0.841 0.993 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.513 -2.143 0.463 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.445 -2.878 -0.086 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.194 -2.270 -0.099 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.115 -2.787 -0.606 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.517 -0.522 -1.207 0.00 0.00 -0.007 A ATOM 12 C LIG 1 3.151 -0.527 -0.865 0.00 0.00 +0.030 A ATOM 13 C LIG 1 2.383 -1.704 -0.799 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.996 -2.912 -1.143 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.348 -2.949 -1.477 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.098 -1.774 -1.490 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 5.385 0.742 -1.232 0.00 0.00 +0.157 C BRANCH 17 20 ATOM 18 C LIG 1 4.580 0.215 1.906 0.00 0.00 +0.151 C ATOM 19 N LIG 1 5.775 0.802 1.360 0.00 0.00 -0.318 N ATOM 20 C LIG 1 6.139 1.029 0.054 0.00 0.00 +0.170 A ATOM 21 N LIG 1 7.333 1.607 0.061 0.00 0.00 -0.131 NA ATOM 22 N LIG 1 7.748 1.750 1.356 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 6.808 1.261 2.125 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 4.748 2.037 -1.747 0.00 0.00 +0.084 C ATOM 25 C LIG 1 3.651 2.809 -1.006 0.00 0.00 +0.169 C ATOM 26 O LIG 1 2.728 2.641 -2.106 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 3.748 1.996 -2.908 0.00 0.00 +0.169 C ENDBRANCH 17 24 BRANCH 17 28 ATOM 28 O LIG 1 6.426 0.466 -2.206 0.00 0.00 -0.376 OA ATOM 29 H LIG 1 7.218 0.954 -1.900 0.00 0.00 +0.211 HD ENDBRANCH 17 28 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -2.645 -4.256 -0.657 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -1.767 -5.159 -0.135 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.884 -4.771 -0.440 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -2.447 -4.288 -2.003 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -4.513 -0.081 1.555 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.404 0.338 0.472 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -4.841 0.809 -0.238 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.537 1.141 0.962 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -6.063 2.579 1.314 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.247 3.109 0.478 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -7.228 1.768 -0.287 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -7.472 0.417 1.915 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9