REMARK Name = BDB029330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.181 -0.881 1.004 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.793 -1.178 -0.326 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.444 -1.173 -0.726 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.494 -0.871 0.246 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.994 -0.787 0.133 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.422 -0.437 1.481 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.327 -0.311 2.343 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.264 -0.032 3.527 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.877 -0.589 1.551 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.199 -0.589 1.960 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.793 -0.266 1.822 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.801 -0.427 0.852 0.00 0.00 +0.027 A ATOM 13 C LIG 1 5.183 -0.283 1.130 0.00 0.00 -0.039 A ATOM 14 C LIG 1 5.517 0.066 2.449 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.542 0.234 3.429 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.193 0.066 3.117 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 6.317 -0.476 -0.036 0.00 0.00 +0.005 C ATOM 18 C LIG 1 7.649 -1.198 0.416 0.00 0.00 +0.030 C ATOM 19 C LIG 1 6.975 -2.544 0.052 0.00 0.00 +0.093 C ATOM 20 C LIG 1 6.117 -1.748 -0.961 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 7.850 -3.552 -0.501 0.00 0.00 +0.066 C ATOM 22 N LIG 1 8.562 -4.365 -0.923 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 6.474 0.892 -0.733 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 7.478 0.955 -1.830 0.00 0.00 +0.134 A ATOM 25 N LIG 1 8.720 1.530 -1.745 0.00 0.00 -0.320 N ATOM 26 C LIG 1 9.315 2.182 -0.610 0.00 0.00 +0.151 C ATOM 27 C LIG 1 9.296 1.374 -2.968 0.00 0.00 +0.224 A ATOM 28 N LIG 1 8.461 0.755 -3.768 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 7.314 0.501 -3.056 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 -1.036 -1.473 -2.142 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -0.411 -0.416 -2.730 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.151 -2.507 -2.210 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -2.069 -1.807 -2.960 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 -4.647 -0.908 1.398 0.00 0.00 +0.119 C BRANCH 34 37 ATOM 35 C LIG 1 -7.956 0.404 -0.018 0.00 0.00 +0.029 C ATOM 36 C LIG 1 -6.899 -0.524 0.615 0.00 0.00 +0.090 C ATOM 37 N LIG 1 -5.493 -0.102 0.503 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 -5.306 1.339 0.702 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -5.670 2.179 -0.539 0.00 0.00 +0.015 C ATOM 40 C LIG 1 -6.254 1.398 -1.718 0.00 0.00 +0.002 C ATOM 41 C LIG 1 -7.645 0.808 -1.469 0.00 0.00 +0.007 C BRANCH 35 42 ATOM 42 C LIG 1 -9.339 -0.273 0.075 0.00 0.00 +0.164 C BRANCH 42 44 ATOM 43 C LIG 1 -10.827 1.551 0.431 0.00 0.00 +0.193 C ATOM 44 O LIG 1 -10.388 0.534 -0.459 0.00 0.00 -0.383 OA ENDBRANCH 42 44 ENDBRANCH 35 42 ENDBRANCH 34 37 ENDBRANCH 1 34 TORSDOF 10