REMARK Name = BDB013080 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.535 -0.995 -0.305 0.00 0.00 +0.046 A ATOM 2 C LIG 1 0.543 -1.783 -0.953 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -0.507 -2.227 -0.187 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -1.253 -3.016 -1.013 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -0.748 -2.994 -2.226 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -0.658 -1.905 1.164 0.00 0.00 +0.203 A ATOM 7 N LIG 1 0.275 -1.220 1.769 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.387 -2.213 -2.189 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 1.350 -0.787 1.018 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 4.947 0.628 -2.220 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.260 1.414 -1.368 0.00 0.00 -0.221 NA ATOM 12 C LIG 1 3.168 0.863 -0.780 0.00 0.00 +0.123 A ATOM 13 C LIG 1 2.738 -0.451 -0.971 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.487 -1.229 -1.859 0.00 0.00 +0.015 A ATOM 15 C LIG 1 4.609 -0.688 -2.487 0.00 0.00 +0.068 A BRANCH 10 16 ATOM 16 O LIG 1 6.076 1.108 -2.837 0.00 0.00 -0.417 OA BRANCH 16 18 ATOM 17 F LIG 1 7.432 2.841 -3.173 0.00 0.00 -0.166 F ATOM 18 C LIG 1 6.187 2.513 -2.728 0.00 0.00 +0.542 C ATOM 19 F LIG 1 5.317 3.091 -3.595 0.00 0.00 -0.166 F ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 1 13 BRANCH 6 20 ATOM 20 N LIG 1 -1.761 -2.315 1.882 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -1.578 -2.097 2.862 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.101 -1.835 1.548 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -3.288 -0.403 1.972 0.00 0.00 -0.024 A ATOM 24 C LIG 1 -3.150 0.664 1.089 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -2.778 0.691 -0.348 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -3.148 2.137 -0.676 0.00 0.00 +0.234 C ATOM 27 O LIG 1 -3.119 2.914 0.541 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 -3.296 1.976 1.526 0.00 0.00 +0.124 A ATOM 29 C LIG 1 -3.573 2.289 2.840 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -3.722 1.238 3.742 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.581 -0.093 3.314 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 6