REMARK Name = BDB048478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.111 -0.241 0.616 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.953 -0.117 -0.162 0.00 0.00 +0.033 A ATOM 3 C LIG 1 0.304 -0.496 0.338 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.387 -1.025 1.630 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -0.762 -1.153 2.411 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.005 -0.759 1.907 0.00 0.00 +0.023 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.496 -0.350 -0.498 0.00 0.00 +0.100 A ATOM 8 C LIG 1 2.809 0.078 -0.116 0.00 0.00 +0.027 A ATOM 9 C LIG 1 3.564 0.015 -1.281 0.00 0.00 +0.066 A ATOM 10 C LIG 1 4.922 0.348 -1.338 0.00 0.00 +0.028 A ATOM 11 C LIG 1 5.524 0.773 -0.150 0.00 0.00 +0.002 A ATOM 12 C LIG 1 4.795 0.862 1.034 0.00 0.00 +0.001 A ATOM 13 N LIG 1 2.697 -0.412 -2.246 0.00 0.00 -0.276 N ATOM 14 H LIG 1 2.899 -0.575 -3.225 0.00 0.00 +0.189 HD ATOM 15 C LIG 1 3.436 0.521 1.067 0.00 0.00 +0.012 A ATOM 16 N LIG 1 1.443 -0.617 -1.816 0.00 0.00 -0.173 NA ENDBRANCH 3 7 BRANCH 1 18 ATOM 17 C LIG 1 -4.573 0.189 0.611 0.00 0.00 +0.241 C ATOM 18 N LIG 1 -3.328 0.163 0.026 0.00 0.00 -0.282 N ATOM 19 H LIG 1 -3.260 0.508 -0.921 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -4.860 -0.060 1.775 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 -5.724 0.391 -1.615 0.00 0.00 +0.013 C ATOM 22 C LIG 1 -5.661 0.644 -0.301 0.00 0.00 +0.060 C ENDBRANCH 17 22 ENDBRANCH 1 18 TORSDOF 3