REMARK Name = BDB030932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.696 1.815 -2.186 0.00 0.00 +0.090 A ATOM 2 C LIG 1 0.976 2.878 -3.012 0.00 0.00 +0.099 A ATOM 3 C LIG 1 2.266 3.346 -2.918 0.00 0.00 +0.129 A ATOM 4 N LIG 1 3.196 2.838 -2.085 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 2.828 1.812 -1.315 0.00 0.00 +0.216 A ATOM 6 N LIG 1 1.601 1.289 -1.329 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -3.541 0.264 0.774 0.00 0.00 +0.080 A ATOM 8 C LIG 1 -3.593 -0.155 -0.572 0.00 0.00 +0.166 A ATOM 9 C LIG 1 -2.562 0.239 -1.435 0.00 0.00 +0.091 A ATOM 10 C LIG 1 -1.446 0.949 -0.994 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -0.602 1.162 -2.128 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -1.214 0.564 -3.212 0.00 0.00 +0.093 A ATOM 13 C LIG 1 -1.371 1.295 0.370 0.00 0.00 +0.013 A ATOM 14 N LIG 1 -2.408 0.041 -2.787 0.00 0.00 -0.357 N ATOM 15 H LIG 1 -3.081 -0.442 -3.366 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 -2.424 0.961 1.236 0.00 0.00 +0.028 A BRANCH 7 18 ATOM 17 C LIG 1 -4.847 0.230 2.909 0.00 0.00 +0.404 C ATOM 18 N LIG 1 -4.653 -0.030 1.586 0.00 0.00 -0.248 N ATOM 19 H LIG 1 -5.445 -0.455 1.123 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 -4.072 0.748 3.698 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 -6.436 0.008 4.614 0.00 0.00 +0.282 C ATOM 22 O LIG 1 -6.093 -0.204 3.243 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 O LIG 1 -4.664 -0.874 -1.056 0.00 0.00 -0.485 OA BRANCH 23 24 ATOM 24 C LIG 1 -4.538 -2.281 -0.761 0.00 0.00 +0.168 C ATOM 25 C LIG 1 -5.950 -2.820 -0.544 0.00 0.00 +0.051 C ATOM 26 C LIG 1 -3.881 -3.006 -1.932 0.00 0.00 +0.051 C ENDBRANCH 23 24 ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 27 ATOM 27 C LIG 1 0.003 3.504 -3.940 0.00 0.00 +0.421 C ATOM 28 F LIG 1 0.444 4.700 -4.434 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -0.252 2.743 -5.040 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.203 3.781 -3.376 0.00 0.00 -0.166 F ENDBRANCH 2 27 BRANCH 5 31 ATOM 31 N LIG 1 3.806 1.312 -0.473 0.00 0.00 -0.309 N ATOM 32 H LIG 1 4.523 2.028 -0.425 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 3.350 0.758 0.803 0.00 0.00 +0.087 C ATOM 34 C LIG 1 4.401 1.018 1.921 0.00 0.00 +0.103 C ATOM 35 N LIG 1 5.132 -0.159 2.418 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 4.516 -0.680 3.044 0.00 0.00 +0.123 HD ATOM 37 C LIG 1 5.580 -1.064 1.345 0.00 0.00 +0.014 C ATOM 38 C LIG 1 6.696 -0.402 0.514 0.00 0.00 +0.027 C ATOM 39 C LIG 1 6.195 -2.298 2.036 0.00 0.00 +0.027 C ATOM 40 C LIG 1 4.406 -1.527 0.442 0.00 0.00 +0.023 C ATOM 41 C LIG 1 3.104 -0.747 0.659 0.00 0.00 +0.025 C ENDBRANCH 31 33 ENDBRANCH 5 31 TORSDOF 8