REMARK Name = BDB035405 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.169 0.437 -0.916 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.016 1.008 -1.394 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.212 1.930 -2.163 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.126 0.277 -0.770 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.487 0.471 -0.930 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.356 -0.366 -0.218 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.823 -1.360 0.639 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.436 -1.542 0.793 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.599 -0.701 0.065 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.107 -0.648 0.015 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.927 0.542 -1.002 0.00 0.00 -0.010 A ATOM 12 C LIG 1 -2.603 0.189 -0.670 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.494 0.813 -1.272 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.747 1.801 -2.230 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.054 2.144 -2.591 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.137 1.514 -1.988 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.097 -0.145 -0.316 0.00 0.00 +0.216 C BRANCH 17 20 ATOM 18 C LIG 1 -4.696 1.981 1.920 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.914 1.734 1.197 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -6.135 0.813 0.199 0.00 0.00 +0.167 A ATOM 21 N LIG 1 -7.391 0.938 -0.195 0.00 0.00 -0.132 NA ATOM 22 N LIG 1 -7.988 1.928 0.547 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -7.087 2.401 1.372 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 O LIG 1 -5.671 -1.038 -1.278 0.00 0.00 -0.361 OA BRANCH 24 25 ATOM 25 C LIG 1 -6.510 -2.102 -0.780 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -8.026 -1.982 -1.080 0.00 0.00 +0.032 C ATOM 27 C LIG 1 -8.032 -3.497 -1.348 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -6.530 -3.378 -1.661 0.00 0.00 +0.032 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.871 -2.600 1.701 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.013 -2.080 2.623 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.808 -3.289 2.404 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.150 -3.530 1.016 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.856 -0.198 -0.340 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.399 0.375 0.893 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.867 1.218 1.111 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.854 0.590 0.815 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.166 1.828 -0.075 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.087 2.331 1.057 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.252 1.477 2.035 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.681 -0.671 0.642 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9