REMARK Name = BDB058249 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.766 -0.052 -0.371 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.331 -0.805 0.723 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.970 -1.027 0.885 0.00 0.00 -0.040 A ATOM 4 C LIG 1 3.303 -1.830 1.959 0.00 0.00 +0.038 C ATOM 5 C LIG 1 1.840 -1.378 1.828 0.00 0.00 +0.045 C ATOM 6 C LIG 1 1.651 -0.955 0.363 0.00 0.00 +0.138 C ATOM 7 C LIG 1 0.547 0.092 0.195 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.515 1.212 0.688 0.00 0.00 -0.272 OA ATOM 9 N LIG 1 -0.416 -0.445 -0.616 0.00 0.00 -0.215 N ATOM 10 C LIG 1 -0.071 -1.699 -1.017 0.00 0.00 +0.310 C ATOM 11 O LIG 1 -0.703 -2.435 -1.756 0.00 0.00 -0.252 OA ATOM 12 N LIG 1 1.151 -2.012 -0.474 0.00 0.00 -0.281 N ATOM 13 H LIG 1 1.616 -2.888 -0.667 0.00 0.00 +0.152 HD ATOM 14 C LIG 1 3.035 -0.530 -0.030 0.00 0.00 -0.012 A ATOM 15 C LIG 1 3.450 0.204 -1.129 0.00 0.00 +0.008 A ATOM 16 C LIG 1 4.819 0.444 -1.291 0.00 0.00 +0.024 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 10.642 0.077 0.189 0.00 0.00 +0.129 C ATOM 18 N LIG 1 9.381 0.317 -0.471 0.00 0.00 -0.302 N ATOM 19 H LIG 1 9.370 0.170 -1.469 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 8.207 -0.027 0.176 0.00 0.00 +0.304 C ATOM 21 N LIG 1 7.121 0.231 -0.633 0.00 0.00 -0.269 N ATOM 22 H LIG 1 7.314 0.819 -1.429 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 8.190 -0.481 1.311 0.00 0.00 -0.253 OA ENDBRANCH 1 21 BRANCH 9 24 ATOM 24 C LIG 1 -1.679 0.190 -0.908 0.00 0.00 +0.213 C BRANCH 24 25 ATOM 25 C LIG 1 -2.672 -0.120 0.221 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -3.853 0.611 0.261 0.00 0.00 -0.281 N ATOM 27 C LIG 1 -4.845 0.338 1.337 0.00 0.00 +0.218 C ATOM 28 C LIG 1 -5.742 -0.843 0.946 0.00 0.00 +0.260 C ATOM 29 O LIG 1 -6.048 -0.905 -0.463 0.00 0.00 -0.489 OA ATOM 30 C LIG 1 -6.580 0.256 -0.951 0.00 0.00 +0.125 A ATOM 31 C LIG 1 -5.794 1.404 -1.149 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -6.410 2.535 -1.709 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -7.760 2.505 -2.050 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -8.524 1.361 -1.860 0.00 0.00 +0.042 A ATOM 35 F LIG 1 -8.327 3.597 -2.579 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -7.928 0.226 -1.317 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -4.311 1.456 -0.847 0.00 0.00 +0.147 C ATOM 38 O LIG 1 -2.434 -0.981 1.068 0.00 0.00 -0.274 OA BRANCH 27 39 ATOM 39 C LIG 1 -4.365 0.176 2.791 0.00 0.00 +0.411 C ATOM 40 F LIG 1 -3.418 1.089 3.105 0.00 0.00 -0.168 F ATOM 41 F LIG 1 -3.909 -1.051 3.101 0.00 0.00 -0.168 F ATOM 42 F LIG 1 -5.416 0.411 3.627 0.00 0.00 -0.168 F ENDBRANCH 27 39 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 4