REMARK Name = BDB035362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.451 -0.886 -0.131 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.626 -1.762 -0.302 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.676 -2.904 -0.721 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.831 -1.052 0.144 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.139 -1.500 0.163 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.125 -0.626 0.638 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.756 0.672 1.073 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.419 1.112 1.048 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.464 0.218 0.572 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.012 0.390 0.419 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.168 -0.400 -0.483 0.00 0.00 -0.007 A ATOM 12 C LIG 1 -2.803 -0.176 -0.198 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.815 -1.148 -0.441 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.225 -2.365 -0.995 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.567 -2.604 -1.302 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.530 -1.631 -1.054 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.225 0.681 -0.213 0.00 0.00 +0.153 C BRANCH 17 20 ATOM 18 C LIG 1 -5.339 -0.833 2.543 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.454 -0.524 1.687 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -6.450 0.131 0.474 0.00 0.00 +0.170 A ATOM 21 N LIG 1 -7.700 0.199 0.051 0.00 0.00 -0.131 NA ATOM 22 N LIG 1 -8.513 -0.414 0.969 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -7.752 -0.846 1.944 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.454 1.430 -1.540 0.00 0.00 +0.033 C ATOM 25 C LIG 1 -6.483 2.599 -1.621 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -6.710 2.203 -3.094 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -6.237 0.783 -2.723 0.00 0.00 +0.007 C ENDBRANCH 17 24 BRANCH 17 28 ATOM 28 O LIG 1 -4.692 1.647 0.711 0.00 0.00 -0.376 OA ATOM 29 H LIG 1 -5.384 2.325 0.815 0.00 0.00 +0.211 HD ENDBRANCH 17 28 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 2.031 2.492 1.503 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.487 3.231 0.498 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.090 2.460 2.488 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.065 3.225 1.996 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.578 -1.049 0.672 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.343 -0.298 -0.322 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.973 -0.511 -1.248 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.792 -0.515 -0.199 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.482 0.573 -1.075 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.432 0.834 0.113 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.336 0.259 1.035 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.254 -1.940 -0.442 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9