REMARK Name = BDB034593 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.116 0.660 0.314 0.00 0.00 -0.280 N ATOM 2 H LIG 1 -0.020 -0.352 0.350 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -1.380 1.120 0.633 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -1.760 2.283 0.673 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.423 1.317 -0.673 0.00 0.00 -0.032 A ATOM 6 C LIG 1 2.203 0.697 -0.298 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.019 1.407 -0.044 0.00 0.00 +0.034 A ATOM 8 C LIG 1 1.030 2.791 -0.159 0.00 0.00 +0.023 A ATOM 9 C LIG 1 2.204 3.446 -0.523 0.00 0.00 +0.002 A ATOM 10 C LIG 1 3.373 2.722 -0.773 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 4.783 0.407 -0.952 0.00 0.00 +0.080 C ATOM 12 C LIG 1 5.129 -0.597 0.183 0.00 0.00 +0.177 C ATOM 13 O LIG 1 4.518 -1.689 -0.548 0.00 0.00 -0.378 OA ATOM 14 C LIG 1 4.529 -0.899 -1.768 0.00 0.00 +0.177 C BRANCH 11 15 ATOM 15 C LIG 1 5.968 1.268 -1.412 0.00 0.00 +0.248 C ATOM 16 F LIG 1 6.237 2.163 -0.410 0.00 0.00 -0.236 F BRANCH 15 19 ATOM 17 C LIG 1 8.670 1.147 0.194 0.00 0.00 +0.151 C ATOM 18 N LIG 1 8.391 0.530 -1.076 0.00 0.00 -0.318 N ATOM 19 C LIG 1 7.226 0.565 -1.803 0.00 0.00 +0.168 A ATOM 20 N LIG 1 7.428 -0.082 -2.935 0.00 0.00 -0.132 NA ATOM 21 N LIG 1 8.707 -0.579 -2.929 0.00 0.00 -0.138 NA ATOM 22 C LIG 1 9.273 -0.204 -1.808 0.00 0.00 +0.224 A ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 -2.340 0.011 0.956 0.00 0.00 +0.127 A ATOM 24 N LIG 1 -1.851 -1.256 0.841 0.00 0.00 -0.238 NA ATOM 25 C LIG 1 -2.706 -2.284 1.115 0.00 0.00 +0.145 A ATOM 26 C LIG 1 -4.029 -2.058 1.504 0.00 0.00 +0.037 A ATOM 27 C LIG 1 -4.508 -0.746 1.627 0.00 0.00 -0.029 A ATOM 28 C LIG 1 -3.640 0.309 1.342 0.00 0.00 +0.038 A BRANCH 25 29 ATOM 29 C LIG 1 -2.224 -3.723 0.964 0.00 0.00 +0.434 C ATOM 30 F LIG 1 -2.590 -4.512 2.016 0.00 0.00 -0.164 F ATOM 31 F LIG 1 -0.869 -3.841 0.868 0.00 0.00 -0.164 F ATOM 32 F LIG 1 -2.733 -4.330 -0.146 0.00 0.00 -0.164 F ENDBRANCH 25 29 BRANCH 27 33 ATOM 33 C LIG 1 -5.941 -0.486 2.034 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -6.878 -0.927 0.996 0.00 0.00 -0.292 NA ATOM 35 C LIG 1 -8.273 -0.604 1.388 0.00 0.00 +0.126 C ATOM 36 C LIG 1 -8.519 -0.067 -0.046 0.00 0.00 +0.134 C ATOM 37 F LIG 1 -9.210 1.097 -0.120 0.00 0.00 -0.240 F ATOM 38 C LIG 1 -9.121 -1.061 -1.028 0.00 0.00 +0.050 C ATOM 39 C LIG 1 -6.974 0.072 -0.098 0.00 0.00 +0.126 C ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 3 23 TORSDOF 8