REMARK Name = BDB029290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.654 -1.569 -0.436 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.207 -0.899 -1.601 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.878 -0.450 -1.741 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.005 -0.702 -0.687 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.442 -0.361 -0.539 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.789 -0.891 0.772 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.318 -1.488 1.386 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.448 -2.021 2.472 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.442 -1.367 0.451 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.743 -1.810 0.604 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.103 -0.789 1.309 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.124 -0.123 0.599 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -4.460 0.023 1.065 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -4.720 -0.574 2.312 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.733 -1.241 3.039 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.435 -1.342 2.544 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.579 0.841 0.179 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -5.085 2.237 -0.364 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -5.650 1.893 -1.762 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -5.704 0.412 -1.331 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -6.931 2.493 -2.084 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -7.969 2.967 -2.294 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -6.937 1.018 0.914 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -7.840 -0.168 0.836 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -9.208 -0.105 0.748 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -10.038 1.069 0.725 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -9.645 -1.391 0.680 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -8.618 -2.205 0.724 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -7.484 -1.437 0.822 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 1.411 0.258 -2.984 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.548 -0.501 -3.713 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.740 1.409 -2.702 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.418 0.607 -3.829 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 5.093 -2.034 -0.307 0.00 0.00 +0.119 C BRANCH 34 40 ATOM 35 C LIG 1 7.843 0.451 -0.732 0.00 0.00 +0.132 C ATOM 36 O LIG 1 8.222 1.204 0.424 0.00 0.00 -0.375 OA ATOM 37 C LIG 1 8.121 0.485 1.649 0.00 0.00 +0.161 C ATOM 38 C LIG 1 6.684 0.492 2.135 0.00 0.00 +0.043 C ATOM 39 C LIG 1 5.832 -0.651 1.577 0.00 0.00 +0.087 C ATOM 40 N LIG 1 6.061 -1.045 0.187 0.00 0.00 -0.296 NA ATOM 41 C LIG 1 6.342 0.055 -0.742 0.00 0.00 +0.116 C BRANCH 35 43 ATOM 42 C LIG 1 9.630 1.678 -2.069 0.00 0.00 +0.006 C ATOM 43 C LIG 1 8.150 1.333 -1.955 0.00 0.00 +0.029 C ENDBRANCH 35 43 ENDBRANCH 34 40 ENDBRANCH 1 34 TORSDOF 9