REMARK Name = BDB058244 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.553 -0.231 -0.085 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.564 -0.771 -1.380 0.00 0.00 +0.027 A ATOM 3 C LIG 1 4.444 -1.451 -1.836 0.00 0.00 -0.038 A ATOM 4 C LIG 1 4.224 -2.056 -3.188 0.00 0.00 +0.040 C ATOM 5 C LIG 1 3.023 -2.977 -2.924 0.00 0.00 +0.067 C ATOM 6 C LIG 1 2.234 -2.336 -1.772 0.00 0.00 +0.216 C ATOM 7 C LIG 1 1.094 -1.470 -2.248 0.00 0.00 +0.273 C ATOM 8 O LIG 1 1.146 -0.549 -3.049 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.017 -1.942 -1.632 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.275 -3.021 -0.878 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -0.519 -3.678 -0.222 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.600 -3.330 -0.972 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 3.310 -1.594 -1.032 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.280 -1.064 0.247 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.412 -0.387 0.719 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 8.640 2.305 2.768 0.00 0.00 +0.129 C ATOM 17 N LIG 1 8.225 1.570 1.599 0.00 0.00 -0.302 N ATOM 18 H LIG 1 8.895 0.911 1.231 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 6.905 1.162 1.494 0.00 0.00 +0.304 C ATOM 20 N LIG 1 6.721 0.433 0.340 0.00 0.00 -0.269 N ATOM 21 H LIG 1 7.465 0.515 -0.337 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 6.061 1.448 2.331 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.313 -1.304 -1.673 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -1.406 -0.292 -0.522 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -2.613 0.404 -0.360 0.00 0.00 -0.293 N ATOM 26 C LIG 1 -2.685 1.405 0.738 0.00 0.00 +0.079 C ATOM 27 C LIG 1 -3.360 2.710 0.260 0.00 0.00 +0.027 C ATOM 28 C LIG 1 -4.892 2.725 0.215 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -5.639 1.472 -0.179 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.069 0.390 -0.872 0.00 0.00 -0.027 A ATOM 31 C LIG 1 -5.856 -0.753 -1.121 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.190 -0.816 -0.722 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.763 0.266 -0.069 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.995 1.398 0.198 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -3.656 0.410 -1.391 0.00 0.00 +0.143 C ATOM 36 O LIG 1 -0.442 -0.121 0.231 0.00 0.00 -0.274 OA BRANCH 26 37 ATOM 37 C LIG 1 -3.257 0.820 2.071 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -2.550 -0.467 2.516 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -3.166 1.838 3.216 0.00 0.00 +0.009 C ENDBRANCH 26 37 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4