REMARK Name = BDB048192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.702 -0.676 -2.491 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.574 -0.257 -2.118 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.683 -1.133 -2.151 0.00 0.00 -0.024 A ATOM 4 C LIG 1 1.495 -2.451 -2.624 0.00 0.00 -0.042 A ATOM 5 C LIG 1 0.208 -2.853 -3.024 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.873 -1.974 -2.962 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -1.841 0.080 -2.456 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 -1.864 1.236 -1.611 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 -1.962 0.877 -0.125 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 -3.458 -2.156 -0.189 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -3.905 -0.814 0.221 0.00 0.00 +0.126 A ATOM 12 C LIG 1 -3.330 0.439 0.263 0.00 0.00 +0.086 A ATOM 13 N LIG 1 -4.242 1.347 0.753 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 -5.327 0.629 0.980 0.00 0.00 +0.228 A ATOM 15 O LIG 1 -5.190 -0.701 0.674 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.622 1.057 1.505 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -6.794 2.389 1.912 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -8.019 2.833 2.415 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -9.091 1.948 2.517 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.939 0.622 2.117 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.711 0.179 1.615 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 3.035 -0.587 -1.740 0.00 0.00 +0.143 C BRANCH 22 23 ATOM 23 N LIG 1 2.964 0.145 -0.499 0.00 0.00 -0.277 N ATOM 24 H LIG 1 2.618 -0.308 0.337 0.00 0.00 +0.152 HD ATOM 25 C LIG 1 3.483 1.393 -0.343 0.00 0.00 +0.401 C ATOM 26 O LIG 1 4.009 2.054 -1.225 0.00 0.00 -0.226 OA BRANCH 25 27 ATOM 27 O LIG 1 3.312 1.778 0.943 0.00 0.00 -0.446 OA BRANCH 27 28 ATOM 28 C LIG 1 3.812 3.079 1.272 0.00 0.00 +0.269 C BRANCH 28 29 ATOM 29 C LIG 1 5.147 2.948 1.955 0.00 0.00 -0.010 A ATOM 30 C LIG 1 5.224 2.700 3.332 0.00 0.00 +0.007 A ATOM 31 C LIG 1 6.465 2.572 3.960 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.638 2.679 3.214 0.00 0.00 +0.000 A ATOM 33 C LIG 1 7.573 2.904 1.841 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.333 3.033 1.213 0.00 0.00 +0.007 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 23 ENDBRANCH 3 22 BRANCH 4 35 ATOM 35 C LIG 1 2.613 -3.466 -2.711 0.00 0.00 +0.046 C BRANCH 35 36 ATOM 36 C LIG 1 2.890 -4.173 -1.386 0.00 0.00 +0.125 C BRANCH 36 37 ATOM 37 C LIG 1 1.781 -5.124 -1.006 0.00 0.00 +0.305 C ATOM 38 O LIG 1 0.964 -4.906 -0.125 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 1.775 -6.263 -1.735 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 2.501 -6.330 -2.382 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 14