REMARK Name = BDB035787 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.268 0.043 -1.295 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.562 -0.955 -2.008 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.172 -1.129 -1.857 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.515 -0.286 -0.966 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.931 -0.233 -0.588 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.992 0.851 0.386 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.272 1.412 0.600 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.633 2.318 1.328 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.214 0.686 -0.261 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.578 0.872 -0.399 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.209 1.244 1.007 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.412 0.582 0.704 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.636 0.940 1.309 0.00 0.00 -0.035 A ATOM 14 C LIG 1 4.650 2.002 2.221 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.470 2.671 2.530 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.264 2.292 1.931 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.936 0.214 0.964 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 5.759 -1.272 0.967 0.00 0.00 +0.139 A ATOM 19 N LIG 1 5.604 -2.000 2.121 0.00 0.00 -0.331 N ATOM 20 H LIG 1 5.589 -1.642 3.065 0.00 0.00 +0.168 HD ATOM 21 C LIG 1 5.428 -3.292 1.733 0.00 0.00 +0.222 A ATOM 22 N LIG 1 5.471 -3.364 0.425 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 5.674 -2.094 -0.058 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 6.512 0.836 -0.306 0.00 0.00 +0.055 C ATOM 25 C LIG 1 7.763 0.223 -0.958 0.00 0.00 +0.166 C ATOM 26 O LIG 1 7.220 0.496 -2.280 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 5.891 0.619 -1.697 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -0.425 -2.199 -2.609 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -1.173 -2.820 -3.561 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.029 -3.181 -1.784 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.671 -1.711 -3.250 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 -4.765 0.196 -1.463 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 -5.462 -0.423 -0.338 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 -5.232 -1.415 -0.307 0.00 0.00 +0.123 HD BRANCH 33 36 ATOM 35 C LIG 1 -7.663 -0.701 -1.536 0.00 0.00 +0.027 C ATOM 36 C LIG 1 -6.905 -0.144 -0.346 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.449 -0.564 1.052 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -8.206 0.781 1.089 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -7.160 1.326 0.095 0.00 0.00 +0.022 C ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 8