REMARK Name = BDB006496 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.542 -0.382 1.138 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.412 -0.009 -0.208 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.297 0.754 -0.621 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.120 1.281 -1.883 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -1.319 1.949 -1.677 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.638 1.839 -0.337 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -2.183 2.663 -2.660 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.593 1.132 -3.182 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.663 1.113 0.327 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.551 0.731 1.675 0.00 0.00 +0.027 A ATOM 11 C LIG 1 0.561 -0.024 2.061 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 3.883 -1.011 0.917 0.00 0.00 -0.305 N ATOM 13 H LIG 1 3.962 -0.179 0.349 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 2.705 -1.182 1.615 0.00 0.00 +0.245 C ATOM 15 O LIG 1 2.589 -1.909 2.595 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.134 -1.605 1.379 0.00 0.00 +0.104 C ATOM 17 C LIG 1 5.144 -3.127 1.203 0.00 0.00 +0.033 C BRANCH 16 19 ATOM 18 C LIG 1 7.370 -0.356 1.324 0.00 0.00 +0.126 A ATOM 19 C LIG 1 6.311 -0.980 0.635 0.00 0.00 +0.014 A ATOM 20 C LIG 1 6.351 -1.031 -0.772 0.00 0.00 +0.009 A ATOM 21 C LIG 1 7.411 -0.472 -1.482 0.00 0.00 +0.013 A ATOM 22 C LIG 1 8.465 0.146 -0.803 0.00 0.00 +0.058 A ATOM 23 C LIG 1 8.431 0.203 0.601 0.00 0.00 +0.058 A BRANCH 22 24 ATOM 24 C LIG 1 9.616 0.769 -1.555 0.00 0.00 +0.418 C ATOM 25 F LIG 1 10.823 0.500 -0.985 0.00 0.00 -0.166 F ATOM 26 F LIG 1 9.522 2.127 -1.610 0.00 0.00 -0.166 F ATOM 27 F LIG 1 9.711 0.348 -2.846 0.00 0.00 -0.166 F ENDBRANCH 22 24 BRANCH 18 29 ATOM 28 C LIG 1 8.331 0.265 3.424 0.00 0.00 +0.277 C ATOM 29 O LIG 1 7.279 -0.346 2.689 0.00 0.00 -0.495 OA ENDBRANCH 18 29 ENDBRANCH 16 19 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 30 ATOM 30 C LIG 1 -2.803 2.448 0.309 0.00 0.00 +0.157 C BRANCH 30 31 ATOM 31 C LIG 1 -4.080 1.675 0.078 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -4.190 0.321 0.425 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -5.388 -0.372 0.227 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -6.509 0.271 -0.317 0.00 0.00 -0.017 A ATOM 35 C LIG 1 -6.401 1.626 -0.656 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -5.204 2.322 -0.455 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -7.760 -0.466 -0.543 0.00 0.00 -0.004 A ATOM 38 C LIG 1 -8.622 -0.871 0.495 0.00 0.00 +0.067 A ATOM 39 C LIG 1 -9.760 -1.647 0.224 0.00 0.00 +0.015 A ATOM 40 C LIG 1 -10.072 -2.001 -1.087 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -9.246 -1.591 -2.129 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -8.101 -0.835 -1.859 0.00 0.00 +0.009 A BRANCH 38 43 ATOM 43 C LIG 1 -8.384 -0.532 1.913 0.00 0.00 +0.337 C ATOM 44 O LIG 1 -8.452 -1.306 2.849 0.00 0.00 -0.245 OA BRANCH 43 45 ATOM 45 O LIG 1 -8.181 0.784 2.091 0.00 0.00 -0.477 OA ATOM 46 H LIG 1 -8.059 0.881 3.057 0.00 0.00 +0.295 HD ENDBRANCH 43 45 ENDBRANCH 38 43 ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 10