REMARK Name = BDB045188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.571 0.927 -2.418 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.629 0.819 -1.390 0.00 0.00 +0.049 A ATOM 3 C LIG 1 0.527 1.611 -1.378 0.00 0.00 -0.044 A ATOM 4 C LIG 1 0.727 2.527 -2.417 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.207 2.637 -3.447 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.353 1.837 -3.450 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -2.642 0.087 -2.294 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 -3.685 0.208 -3.261 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 -4.807 -0.774 -2.919 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 -6.852 1.837 -2.253 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -6.403 0.676 -1.466 0.00 0.00 +0.126 A ATOM 12 C LIG 1 -5.571 -0.400 -1.696 0.00 0.00 +0.086 A ATOM 13 N LIG 1 -5.538 -1.197 -0.573 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 -6.314 -0.576 0.295 0.00 0.00 +0.228 A ATOM 15 O LIG 1 -6.878 0.576 -0.189 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.648 -0.950 1.667 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -7.496 -0.168 2.467 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -7.798 -0.552 3.777 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -7.255 -1.722 4.304 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.410 -2.509 3.525 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.109 -2.125 2.215 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 1.536 1.468 -0.266 0.00 0.00 +0.041 C BRANCH 22 23 ATOM 23 C LIG 1 2.857 0.851 -0.729 0.00 0.00 +0.026 C ATOM 24 C LIG 1 2.820 -0.526 -1.421 0.00 0.00 +0.120 C ATOM 25 C LIG 1 4.266 -1.003 -1.303 0.00 0.00 +0.126 C ATOM 26 N LIG 1 4.780 -0.347 -0.112 0.00 0.00 -0.266 N ATOM 27 C LIG 1 5.975 -0.709 0.465 0.00 0.00 +0.408 C ATOM 28 O LIG 1 6.709 -1.571 -0.006 0.00 0.00 -0.226 OA ATOM 29 C LIG 1 3.861 0.649 0.406 0.00 0.00 +0.115 C BRANCH 24 30 ATOM 30 C LIG 1 1.920 -1.596 -0.855 0.00 0.00 +0.310 C ATOM 31 O LIG 1 1.502 -2.558 -1.482 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 O LIG 1 1.640 -1.482 0.452 0.00 0.00 -0.480 OA ATOM 33 H LIG 1 1.087 -2.271 0.642 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 24 30 BRANCH 27 34 ATOM 34 O LIG 1 6.225 0.017 1.625 0.00 0.00 -0.411 OA BRANCH 34 35 ATOM 35 C LIG 1 7.433 -0.279 2.266 0.00 0.00 +0.133 A ATOM 36 C LIG 1 8.649 0.104 1.702 0.00 0.00 +0.046 A ATOM 37 C LIG 1 9.831 -0.156 2.395 0.00 0.00 +0.004 A ATOM 38 C LIG 1 9.787 -0.777 3.645 0.00 0.00 +0.000 A ATOM 39 C LIG 1 8.561 -1.138 4.209 0.00 0.00 +0.004 A ATOM 40 C LIG 1 7.375 -0.882 3.521 0.00 0.00 +0.046 A ENDBRANCH 34 35 ENDBRANCH 27 34 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 11