REMARK Name = BDB024922 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.608 -0.303 0.713 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.481 -1.137 0.823 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.680 -2.552 1.202 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.708 -2.713 2.727 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.668 -3.472 0.527 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.258 -3.072 0.895 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.040 -1.599 0.696 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.715 -1.118 0.561 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.457 -1.830 0.580 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.427 -0.949 0.389 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.911 0.330 0.291 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.464 0.235 0.386 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.497 1.168 0.341 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.808 0.688 0.487 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.116 -0.672 0.663 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.628 0.863 0.337 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.682 1.561 0.149 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.555 2.490 1.368 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.549 3.662 1.280 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.745 4.184 -0.152 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.593 3.807 -1.076 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.422 2.291 -1.183 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.892 3.258 1.853 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.342 2.126 1.920 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.607 4.314 2.281 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.446 3.929 2.612 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.945 -0.144 0.982 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.764 -0.943 1.075 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.893 -1.315 0.332 0.00 0.00 +0.214 C BRANCH 29 30 ATOM 30 C LIG 1 -3.629 -0.989 -0.955 0.00 0.00 +0.033 A ATOM 31 C LIG 1 -3.138 -1.326 -2.235 0.00 0.00 +0.126 A ATOM 32 C LIG 1 -3.877 -0.986 -3.377 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -5.101 -0.324 -3.259 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -5.590 -0.009 -2.002 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -6.763 0.626 -1.889 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -4.875 -0.337 -0.858 0.00 0.00 +0.048 A BRANCH 31 37 ATOM 37 O LIG 1 -1.937 -1.980 -2.269 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -1.399 -2.336 -3.534 0.00 0.00 +0.277 C ENDBRANCH 31 37 ENDBRANCH 29 30 BRANCH 29 39 ATOM 39 O LIG 1 -3.001 -2.725 0.563 0.00 0.00 -0.379 OA ATOM 40 H LIG 1 -2.076 -3.046 0.558 0.00 0.00 +0.211 HD ENDBRANCH 29 39 ENDBRANCH 10 29 TORSDOF 8