REMARK Name = BDB007020 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.163 2.214 -0.787 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.762 1.668 -1.659 0.00 0.00 -0.269 N ATOM 3 C LIG 1 1.977 0.991 -1.449 0.00 0.00 +0.043 A ATOM 4 C LIG 1 2.460 0.510 -2.664 0.00 0.00 -0.001 A ATOM 5 C LIG 1 3.635 -0.208 -2.684 0.00 0.00 +0.117 A ATOM 6 N LIG 1 4.348 -0.456 -1.566 0.00 0.00 -0.259 NA ATOM 7 C LIG 1 3.884 0.052 -0.391 0.00 0.00 +0.047 A ATOM 8 C LIG 1 1.543 0.850 -3.809 0.00 0.00 +0.009 C ATOM 9 C LIG 1 2.273 1.529 -4.970 0.00 0.00 +0.017 C ATOM 10 C LIG 1 0.805 -0.404 -4.297 0.00 0.00 +0.017 C ATOM 11 C LIG 1 2.707 0.797 -0.295 0.00 0.00 +0.047 A ATOM 12 C LIG 1 0.570 1.828 -3.111 0.00 0.00 +0.124 C ATOM 13 O LIG 1 -1.020 2.995 -1.216 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.121 1.795 0.693 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -3.877 4.328 2.760 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -3.311 2.934 2.496 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -4.331 2.132 1.797 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -4.529 2.581 0.901 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.771 0.796 1.506 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.439 0.820 0.695 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.436 1.699 1.370 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -1.997 3.027 1.680 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -1.900 -0.635 0.479 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 N LIG 1 -2.855 -1.537 -0.207 0.00 0.00 -0.301 NA ATOM 25 C LIG 1 -3.505 -2.461 0.742 0.00 0.00 +0.084 C ATOM 26 C LIG 1 -2.566 -3.652 0.902 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -1.610 -3.568 -0.279 0.00 0.00 +0.017 C ATOM 28 C LIG 1 -2.171 -2.450 -1.140 0.00 0.00 +0.084 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 29 ATOM 29 C LIG 1 4.684 -0.262 0.855 0.00 0.00 +0.093 C BRANCH 29 30 ATOM 30 C LIG 1 4.053 -1.346 1.695 0.00 0.00 -0.006 A ATOM 31 C LIG 1 3.218 -1.019 2.770 0.00 0.00 +0.130 A ATOM 32 F LIG 1 2.993 0.269 3.068 0.00 0.00 -0.205 F ATOM 33 C LIG 1 2.599 -2.001 3.533 0.00 0.00 +0.077 A ATOM 34 C LIG 1 2.815 -3.333 3.213 0.00 0.00 +0.126 A ATOM 35 F LIG 1 2.221 -4.290 3.937 0.00 0.00 -0.205 F ATOM 36 C LIG 1 3.633 -3.693 2.146 0.00 0.00 +0.039 A ATOM 37 C LIG 1 4.250 -2.700 1.383 0.00 0.00 +0.009 A ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 6