REMARK Name = BDB024407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.658 0.615 0.891 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.527 -0.619 0.004 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.223 -1.858 0.596 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.110 -3.014 -0.177 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.308 -2.952 -1.554 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.627 -1.737 -2.157 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.741 -0.579 -1.384 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.391 1.975 0.179 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.844 2.337 -0.277 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.826 3.222 -0.763 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 1.294 2.808 0.008 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.077 1.700 -0.147 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.203 0.588 0.592 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -3.425 0.003 0.666 0.00 0.00 +0.123 A ATOM 15 C LIG 1 -4.565 0.508 0.060 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -4.419 1.671 -0.695 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -3.164 2.276 -0.797 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -5.895 -0.150 0.157 0.00 0.00 +0.093 A ATOM 19 N LIG 1 -6.729 -0.015 -0.829 0.00 0.00 -0.168 NA ATOM 20 N LIG 1 -7.955 -0.633 -0.731 0.00 0.00 -0.232 N ATOM 21 C LIG 1 -8.823 -0.495 -1.885 0.00 0.00 +0.176 C ATOM 22 C LIG 1 -8.343 -1.429 0.337 0.00 0.00 +0.267 A ATOM 23 O LIG 1 -9.405 -2.040 0.423 0.00 0.00 -0.266 OA ATOM 24 C LIG 1 -7.380 -1.516 1.454 0.00 0.00 +0.074 A ATOM 25 C LIG 1 -6.196 -0.905 1.393 0.00 0.00 +0.035 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 1.963 0.664 1.629 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 2.034 1.607 2.018 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.144 0.435 0.782 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 4.646 -0.160 2.771 0.00 0.00 +0.014 C ATOM 30 C LIG 1 4.461 0.738 1.541 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 5.658 0.636 0.603 0.00 0.00 -0.043 A ATOM 32 C LIG 1 6.393 1.788 0.285 0.00 0.00 +0.005 A ATOM 33 C LIG 1 7.489 1.720 -0.579 0.00 0.00 +0.019 A ATOM 34 C LIG 1 7.865 0.497 -1.141 0.00 0.00 +0.052 A ATOM 35 C LIG 1 7.138 -0.656 -0.835 0.00 0.00 +0.019 A ATOM 36 C LIG 1 6.042 -0.587 0.030 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 8.988 0.426 -2.029 0.00 0.00 +0.099 C ATOM 38 N LIG 1 9.897 0.369 -2.748 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9