REMARK Name = BDB056340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.405 1.127 1.793 0.00 0.00 +0.177 C ATOM 2 C LIG 1 1.002 0.613 1.937 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.698 1.082 2.848 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.493 -0.357 1.061 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.793 -1.032 -0.033 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.624 -1.169 -0.205 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -1.055 -1.894 -1.357 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.198 -2.442 -2.310 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.155 -2.288 -2.154 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.615 -0.676 0.644 0.00 0.00 -0.326 N ATOM 11 C LIG 1 1.631 -1.600 -1.040 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -1.295 -0.095 1.946 0.00 0.00 +0.137 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -1.732 2.673 0.419 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -0.598 1.907 0.571 0.00 0.00 -0.301 N ATOM 15 H LIG 1 -0.221 1.488 -0.270 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -2.544 2.841 1.330 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -1.959 3.226 -1.012 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -0.726 3.951 -1.543 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -3.942 4.044 -2.159 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -3.095 4.173 -0.984 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -3.647 3.971 -0.142 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 2.885 -0.771 1.360 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 3.997 0.001 0.651 0.00 0.00 -0.022 A ATOM 24 C LIG 1 5.332 -0.509 0.638 0.00 0.00 -0.013 A ATOM 25 C LIG 1 6.340 0.223 -0.044 0.00 0.00 -0.018 A ATOM 26 C LIG 1 7.659 -0.259 -0.086 0.00 0.00 +0.008 A ATOM 27 C LIG 1 8.009 -1.453 0.540 0.00 0.00 +0.001 A ATOM 28 C LIG 1 7.043 -2.178 1.222 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.024 1.434 -0.672 0.00 0.00 +0.008 A ATOM 30 C LIG 1 4.730 1.940 -0.632 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.726 -1.712 1.271 0.00 0.00 +0.009 A ATOM 32 C LIG 1 3.728 1.234 0.026 0.00 0.00 +0.006 A ENDBRANCH 22 23 ENDBRANCH 4 22 BRANCH 10 33 ATOM 33 C LIG 1 -3.057 -0.699 0.323 0.00 0.00 +0.105 C BRANCH 33 34 ATOM 34 C LIG 1 -3.708 -1.984 0.847 0.00 0.00 +0.022 C BRANCH 34 35 ATOM 35 C LIG 1 -5.232 -2.027 0.633 0.00 0.00 -0.016 C ATOM 36 C LIG 1 -5.820 -3.253 1.336 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -5.611 -2.053 -0.849 0.00 0.00 +0.007 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 10 33 TORSDOF 8