REMARK Name = BDB038839 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.462 1.583 1.249 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -4.167 0.847 0.098 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -2.864 0.376 -0.152 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.843 0.653 0.784 0.00 0.00 +0.129 A ATOM 5 C LIG 1 -2.143 1.376 1.942 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.444 1.837 2.172 0.00 0.00 +0.012 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.595 -0.361 -1.403 0.00 0.00 -0.008 A ATOM 8 C LIG 1 -2.404 -1.772 -1.414 0.00 0.00 -0.001 A ATOM 9 C LIG 1 -2.121 -2.341 -2.674 0.00 0.00 +0.127 A ATOM 10 F LIG 1 -1.909 -3.663 -2.765 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -2.044 -1.601 -3.854 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -2.250 -0.231 -3.820 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -2.523 0.383 -2.603 0.00 0.00 +0.009 A BRANCH 8 14 ATOM 14 C LIG 1 -2.486 -2.671 -0.095 0.00 0.00 +0.022 C ATOM 15 C LIG 1 -1.256 -3.537 0.295 0.00 0.00 +0.008 C ATOM 16 C LIG 1 -2.248 -4.573 0.860 0.00 0.00 +0.001 C ATOM 17 C LIG 1 -3.299 -3.998 -0.112 0.00 0.00 +0.008 C ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 19 ATOM 18 C LIG 1 -6.678 2.888 0.698 0.00 0.00 +0.177 A ATOM 19 C LIG 1 -5.806 2.070 1.484 0.00 0.00 +0.034 A ATOM 20 C LIG 1 -6.523 1.765 2.622 0.00 0.00 +0.117 A ATOM 21 N LIG 1 -7.732 2.371 2.478 0.00 0.00 -0.273 N ATOM 22 C LIG 1 -8.835 2.338 3.408 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -7.859 3.058 1.334 0.00 0.00 -0.164 NA BRANCH 18 24 ATOM 24 C LIG 1 -6.400 3.509 -0.610 0.00 0.00 +0.360 C ATOM 25 O LIG 1 -5.324 3.420 -1.196 0.00 0.00 -0.243 OA BRANCH 24 27 ATOM 26 C LIG 1 -7.232 4.816 -2.376 0.00 0.00 +0.280 C ATOM 27 O LIG 1 -7.471 4.202 -1.112 0.00 0.00 -0.463 OA ENDBRANCH 24 27 ENDBRANCH 18 24 ENDBRANCH 1 19 BRANCH 4 28 ATOM 28 O LIG 1 -0.602 0.166 0.469 0.00 0.00 -0.488 OA BRANCH 28 29 ATOM 29 C LIG 1 0.534 0.569 1.232 0.00 0.00 +0.175 C ATOM 30 C LIG 1 1.709 -0.312 0.807 0.00 0.00 +0.066 C ATOM 31 C LIG 1 2.233 0.318 -0.493 0.00 0.00 +0.077 C ATOM 32 C LIG 1 1.639 1.730 -0.551 0.00 0.00 +0.026 C ATOM 33 C LIG 1 1.014 1.959 0.823 0.00 0.00 +0.046 C BRANCH 31 34 ATOM 34 N LIG 1 3.683 0.351 -0.535 0.00 0.00 -0.311 N ATOM 35 H LIG 1 4.182 1.089 -0.047 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 4.436 -0.778 -0.807 0.00 0.00 +0.230 C ATOM 37 O LIG 1 3.951 -1.864 -1.106 0.00 0.00 -0.274 OA BRANCH 36 38 ATOM 38 C LIG 1 5.944 -0.504 -0.750 0.00 0.00 +0.143 C ATOM 39 N LIG 1 6.399 0.075 0.550 0.00 0.00 -0.294 NA ATOM 40 C LIG 1 5.911 -0.668 1.720 0.00 0.00 +0.105 C ATOM 41 C LIG 1 7.873 -0.035 0.462 0.00 0.00 +0.091 C ATOM 42 C LIG 1 8.201 -1.263 -0.421 0.00 0.00 -0.020 C ATOM 43 C LIG 1 9.143 -0.857 -1.566 0.00 0.00 +0.012 C ATOM 44 C LIG 1 8.858 -2.387 0.389 0.00 0.00 +0.012 C ATOM 45 C LIG 1 6.838 -1.713 -0.977 0.00 0.00 +0.036 C ENDBRANCH 36 38 ENDBRANCH 31 34 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 9