REMARK Name = BDB035490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.496 -1.246 0.398 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.280 -0.310 -0.294 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.035 0.638 -0.988 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.686 -0.653 -0.051 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.822 -0.016 -0.516 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.067 -0.537 -0.138 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.120 -1.677 0.703 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.954 -2.313 1.167 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.734 -1.774 0.769 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.343 -2.213 1.095 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.133 -0.424 -0.196 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.720 -0.373 -0.231 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.917 -1.304 0.444 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.565 -2.308 1.176 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.959 -2.377 1.228 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.737 -1.444 0.549 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.909 0.644 -0.966 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -5.117 1.539 2.116 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -4.946 2.377 0.961 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.853 2.024 -0.363 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.747 3.134 -1.074 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.756 4.206 -0.220 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -4.867 3.737 0.998 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.371 0.264 -1.243 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -6.635 -0.948 -2.189 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -7.860 -0.171 -2.734 0.00 0.00 +0.092 C ATOM 27 C LIG 1 -7.114 1.119 -2.318 0.00 0.00 +0.023 C BRANCH 26 28 ATOM 28 C LIG 1 -8.128 -0.328 -4.145 0.00 0.00 +0.066 C ATOM 29 N LIG 1 -8.351 -0.469 -5.275 0.00 0.00 -0.196 NA ENDBRANCH 26 28 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.012 -3.518 2.066 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.326 -4.576 1.551 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.451 -3.276 3.283 0.00 0.00 -0.166 F ATOM 33 F LIG 1 4.271 -3.968 2.311 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.349 0.121 -0.600 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.009 0.779 0.527 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.392 1.510 0.883 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.357 1.258 0.187 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.338 0.053 0.115 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.287 0.851 1.033 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.050 1.628 1.533 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.411 2.324 -0.891 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9