REMARK Name = BDB020418 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.962 -0.683 -2.684 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.769 -0.284 -2.070 0.00 0.00 +0.046 A ATOM 3 C LIG 1 0.566 -0.205 -2.791 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.594 -0.513 -4.161 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.778 -0.899 -4.788 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.957 -0.980 -4.052 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 4.428 -0.721 -0.652 0.00 0.00 +0.248 C ATOM 8 N LIG 1 4.201 -0.787 -2.015 0.00 0.00 -0.281 N ATOM 9 H LIG 1 4.993 -1.028 -2.595 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 3.592 -0.679 0.240 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 8.564 -0.893 0.525 0.00 0.00 +0.034 A ATOM 12 C LIG 1 8.185 -0.159 -0.608 0.00 0.00 +0.024 A ATOM 13 C LIG 1 6.844 -0.095 -1.004 0.00 0.00 +0.015 A ATOM 14 C LIG 1 5.866 -0.769 -0.267 0.00 0.00 +0.037 A ATOM 15 C LIG 1 6.235 -1.482 0.877 0.00 0.00 +0.015 A ATOM 16 C LIG 1 7.578 -1.548 1.266 0.00 0.00 +0.024 A BRANCH 11 18 ATOM 17 C LIG 1 10.544 -1.614 1.865 0.00 0.00 +0.241 C ATOM 18 N LIG 1 9.934 -0.904 0.856 0.00 0.00 -0.282 N ATOM 19 H LIG 1 10.540 -0.366 0.251 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 10.032 -2.434 2.617 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 12.622 -0.208 1.743 0.00 0.00 +0.013 C ATOM 22 C LIG 1 12.011 -1.379 1.972 0.00 0.00 +0.060 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 N LIG 1 -0.657 0.232 -2.230 0.00 0.00 -0.298 N ATOM 24 H LIG 1 -1.446 -0.052 -2.794 0.00 0.00 +0.154 HD BRANCH 23 25 ATOM 25 C LIG 1 -0.918 0.861 -1.061 0.00 0.00 +0.150 A ATOM 26 C LIG 1 -2.218 1.009 -0.563 0.00 0.00 +0.034 A ATOM 27 C LIG 1 -3.616 0.681 -0.838 0.00 0.00 +0.150 C ATOM 28 N LIG 1 -4.279 1.180 0.410 0.00 0.00 -0.270 N ATOM 29 C LIG 1 -3.361 1.950 1.326 0.00 0.00 +0.075 C ATOM 30 C LIG 1 -3.653 3.455 1.341 0.00 0.00 +0.038 C ATOM 31 C LIG 1 -3.349 1.355 2.734 0.00 0.00 +0.038 C ATOM 32 C LIG 1 -5.647 1.187 0.586 0.00 0.00 +0.306 C ATOM 33 N LIG 1 -6.358 0.344 -0.265 0.00 0.00 -0.283 N ATOM 34 C LIG 1 -6.223 -1.096 -0.014 0.00 0.00 +0.124 C ATOM 35 C LIG 1 -7.209 -1.588 1.070 0.00 0.00 +0.103 C ATOM 36 N LIG 1 -8.608 -1.248 0.736 0.00 0.00 -0.302 NA ATOM 37 C LIG 1 -9.512 -1.695 1.795 0.00 0.00 +0.105 C ATOM 38 C LIG 1 -8.727 0.214 0.539 0.00 0.00 +0.103 C ATOM 39 C LIG 1 -7.747 0.722 -0.539 0.00 0.00 +0.124 C ATOM 40 O LIG 1 -6.212 1.902 1.410 0.00 0.00 -0.252 OA ATOM 41 C LIG 1 -2.096 1.684 0.611 0.00 0.00 +0.066 A ATOM 42 N LIG 1 -0.787 1.930 0.798 0.00 0.00 -0.277 N ATOM 43 H LIG 1 -0.311 2.402 1.560 0.00 0.00 +0.189 HD ATOM 44 N LIG 1 -0.047 1.456 -0.227 0.00 0.00 -0.158 NA ENDBRANCH 23 25 ENDBRANCH 3 23 TORSDOF 6