REMARK Name = BDB036086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.247 2.165 -1.763 0.00 0.00 +0.186 A ATOM 2 C LIG 1 2.317 1.701 -2.693 0.00 0.00 +0.167 A ATOM 3 N LIG 1 2.555 1.777 -4.021 0.00 0.00 -0.217 NA ATOM 4 C LIG 1 3.705 2.345 -4.409 0.00 0.00 +0.223 A ATOM 5 N LIG 1 4.638 2.865 -3.603 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 4.378 2.764 -2.287 0.00 0.00 +0.162 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 1.097 1.114 -2.285 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -0.017 0.857 -3.175 0.00 0.00 +0.117 C ATOM 9 C LIG 1 -0.876 0.916 -1.953 0.00 0.00 +0.028 C ATOM 10 C LIG 1 -1.494 -0.347 -1.419 0.00 0.00 +0.095 C ATOM 11 N LIG 1 -2.799 0.180 -1.879 0.00 0.00 -0.301 NA ATOM 12 C LIG 1 -2.235 1.546 -2.006 0.00 0.00 +0.095 C ATOM 13 C LIG 1 0.242 1.576 -1.218 0.00 0.00 +0.117 C BRANCH 11 14 ATOM 14 C LIG 1 -3.907 0.103 -0.919 0.00 0.00 +0.088 C BRANCH 14 15 ATOM 15 C LIG 1 -3.677 0.398 0.592 0.00 0.00 +0.003 C ATOM 16 C LIG 1 -3.219 -0.854 1.379 0.00 0.00 +0.010 C ATOM 17 C LIG 1 -4.215 -1.329 2.438 0.00 0.00 +0.065 C ATOM 18 C LIG 1 -5.649 -1.351 1.907 0.00 0.00 +0.170 C ATOM 19 O LIG 1 -5.737 -2.300 0.828 0.00 0.00 -0.346 OA ATOM 20 C LIG 1 -6.460 -3.405 1.367 0.00 0.00 +0.191 C ATOM 21 C LIG 1 -7.357 -2.765 2.388 0.00 0.00 +0.191 C ATOM 22 O LIG 1 -6.525 -1.763 2.970 0.00 0.00 -0.346 OA ATOM 23 C LIG 1 -6.094 0.023 1.383 0.00 0.00 +0.065 C ATOM 24 C LIG 1 -4.938 1.014 1.225 0.00 0.00 +0.010 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 2 7 BRANCH 1 25 ATOM 25 O LIG 1 2.988 2.031 -0.420 0.00 0.00 -0.450 OA BRANCH 25 27 ATOM 26 C LIG 1 4.883 0.846 0.557 0.00 0.00 +0.030 A ATOM 27 C LIG 1 4.061 1.987 0.442 0.00 0.00 +0.137 A ATOM 28 C LIG 1 4.246 3.104 1.266 0.00 0.00 +0.050 A ATOM 29 C LIG 1 5.288 3.119 2.188 0.00 0.00 +0.042 A ATOM 30 C LIG 1 6.124 2.015 2.289 0.00 0.00 +0.124 A ATOM 31 F LIG 1 7.129 2.029 3.174 0.00 0.00 -0.205 F ATOM 32 C LIG 1 5.932 0.889 1.491 0.00 0.00 +0.050 A BRANCH 26 34 ATOM 33 C LIG 1 3.734 -1.351 -0.002 0.00 0.00 +0.055 A ATOM 34 C LIG 1 4.690 -0.364 -0.252 0.00 0.00 +0.025 A ATOM 35 C LIG 1 5.511 -0.616 -1.345 0.00 0.00 +0.123 A ATOM 36 N LIG 1 5.437 -1.707 -2.132 0.00 0.00 -0.243 NA ATOM 37 C LIG 1 4.488 -2.586 -1.797 0.00 0.00 +0.221 A ATOM 38 N LIG 1 3.643 -2.473 -0.763 0.00 0.00 -0.239 NA BRANCH 33 40 ATOM 39 C LIG 1 3.354 -2.007 2.384 0.00 0.00 +0.014 C ATOM 40 C LIG 1 2.774 -1.272 1.175 0.00 0.00 +0.032 C ATOM 41 C LIG 1 1.394 -1.840 0.823 0.00 0.00 +0.014 C ENDBRANCH 33 40 ENDBRANCH 26 34 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 7