REMARK Name = BDB038359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.383 -1.318 0.315 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -1.445 -2.240 -0.733 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -0.341 -2.411 -1.561 0.00 0.00 +0.146 A ATOM 4 N LIG 1 0.801 -1.693 -1.375 0.00 0.00 -0.228 NA ATOM 5 C LIG 1 0.893 -0.818 -0.359 0.00 0.00 +0.129 A ATOM 6 C LIG 1 -0.183 -0.614 0.501 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 2.099 -0.108 -0.185 0.00 0.00 -0.248 N ATOM 8 C LIG 1 3.211 -0.219 -1.020 0.00 0.00 +0.253 C ATOM 9 O LIG 1 3.407 -0.865 -2.031 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 4.244 0.664 -0.461 0.00 0.00 +0.042 A ATOM 11 C LIG 1 5.524 0.902 -0.925 0.00 0.00 +0.013 A ATOM 12 C LIG 1 6.315 1.796 -0.204 0.00 0.00 +0.001 A ATOM 13 C LIG 1 5.814 2.427 0.950 0.00 0.00 +0.013 A ATOM 14 C LIG 1 4.508 2.176 1.411 0.00 0.00 +0.060 A ATOM 15 C LIG 1 3.734 1.279 0.678 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.333 0.814 0.910 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 3.958 2.843 2.643 0.00 0.00 +0.418 C ATOM 18 F LIG 1 4.822 3.709 3.237 0.00 0.00 -0.166 F ATOM 19 F LIG 1 2.828 3.556 2.376 0.00 0.00 -0.166 F ATOM 20 F LIG 1 3.604 1.941 3.599 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 5 7 BRANCH 1 22 ATOM 21 C LIG 1 -3.816 -0.694 0.728 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -2.541 -1.084 1.204 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -2.382 -1.271 2.594 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -3.445 -1.086 3.480 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -4.695 -0.718 2.999 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -4.881 -0.528 1.631 0.00 0.00 +0.012 A BRANCH 21 29 ATOM 27 C LIG 1 -2.827 1.686 -1.053 0.00 0.00 +0.152 C ATOM 28 N LIG 1 -3.632 0.567 -1.459 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -4.095 -0.472 -0.689 0.00 0.00 +0.164 A ATOM 30 N LIG 1 -4.848 -1.243 -1.452 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 -4.850 -0.728 -2.726 0.00 0.00 -0.138 NA ATOM 32 C LIG 1 -4.114 0.357 -2.715 0.00 0.00 +0.225 A ENDBRANCH 21 29 ENDBRANCH 1 22 BRANCH 3 33 ATOM 33 C LIG 1 -0.419 -3.385 -2.729 0.00 0.00 +0.434 C ATOM 34 F LIG 1 0.752 -4.034 -2.986 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -1.339 -4.377 -2.531 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -0.781 -2.779 -3.896 0.00 0.00 -0.164 F ENDBRANCH 3 33 TORSDOF 5