REMARK Name = BDB022395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.669 -2.922 -0.858 0.00 0.00 -0.035 A ATOM 2 C LIG 1 -1.458 -2.215 -0.710 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -0.206 -2.829 -0.904 0.00 0.00 +0.018 A ATOM 4 C LIG 1 -0.202 -4.188 -1.249 0.00 0.00 +0.131 A ATOM 5 F LIG 1 0.958 -4.832 -1.458 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -1.384 -4.910 -1.393 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -2.612 -4.282 -1.197 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.043 -2.064 -0.741 0.00 0.00 -0.015 A ATOM 9 C LIG 1 1.235 -0.839 -1.397 0.00 0.00 +0.010 A ATOM 10 C LIG 1 2.418 -0.107 -1.232 0.00 0.00 +0.024 A ATOM 11 C LIG 1 3.440 -0.577 -0.402 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.263 -1.795 0.252 0.00 0.00 +0.024 A ATOM 13 C LIG 1 2.079 -2.527 0.084 0.00 0.00 +0.010 A BRANCH 11 14 ATOM 14 N LIG 1 4.599 0.218 -0.290 0.00 0.00 -0.282 N ATOM 15 H LIG 1 4.599 1.077 -0.823 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 5.696 -0.009 0.511 0.00 0.00 +0.241 C ATOM 17 O LIG 1 5.854 -0.903 1.332 0.00 0.00 -0.271 OA BRANCH 16 18 ATOM 18 C LIG 1 6.754 1.028 0.374 0.00 0.00 +0.064 C ATOM 19 C LIG 1 7.141 1.557 -0.800 0.00 0.00 -0.007 C BRANCH 19 20 ATOM 20 C LIG 1 8.239 2.570 -0.998 0.00 0.00 +0.111 C BRANCH 20 21 ATOM 21 N LIG 1 8.683 3.251 0.224 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 10.019 3.822 0.033 0.00 0.00 +0.104 C ATOM 23 C LIG 1 7.749 4.312 0.616 0.00 0.00 +0.104 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 16 18 ENDBRANCH 11 14 ENDBRANCH 3 8 BRANCH 1 25 ATOM 24 C LIG 1 -4.971 -2.403 -1.789 0.00 0.00 +0.022 C ATOM 25 C LIG 1 -3.997 -2.198 -0.625 0.00 0.00 +0.102 C BRANCH 25 26 ATOM 26 C LIG 1 -4.668 -2.612 0.690 0.00 0.00 +0.225 C ATOM 27 N LIG 1 -5.471 -1.762 1.393 0.00 0.00 -0.268 N ATOM 28 H LIG 1 -5.833 -2.179 2.239 0.00 0.00 +0.156 HD ATOM 29 O LIG 1 -4.540 -3.752 1.156 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 C LIG 1 -5.855 -0.468 1.139 0.00 0.00 +0.147 A ATOM 31 N LIG 1 -5.515 0.256 0.070 0.00 0.00 -0.158 NA ATOM 32 N LIG 1 -6.125 1.438 0.255 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -6.005 2.163 -0.444 0.00 0.00 +0.189 HD ATOM 34 C LIG 1 -6.846 1.495 1.406 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -6.692 0.274 2.012 0.00 0.00 +0.068 A BRANCH 34 36 ATOM 36 C LIG 1 -7.642 2.707 1.931 0.00 0.00 +0.037 C ATOM 37 C LIG 1 -9.079 2.520 2.341 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -8.751 3.270 1.082 0.00 0.00 +0.010 C ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 9