REMARK Name = BDB018210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.090 -0.553 -0.936 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -0.262 -1.228 -0.064 0.00 0.00 +0.117 A ATOM 3 N LIG 1 0.707 -1.817 -0.831 0.00 0.00 -0.267 N ATOM 4 N LIG 1 0.549 -1.590 -2.151 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 -0.539 -0.818 -2.210 0.00 0.00 +0.143 A ENDROOT BRANCH 1 13 ATOM 6 C LIG 1 -4.148 3.278 -1.996 0.00 0.00 +0.049 C ATOM 7 C LIG 1 -3.717 2.114 -1.163 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -4.550 1.803 0.042 0.00 0.00 +0.254 A ATOM 9 O LIG 1 -5.543 2.481 0.295 0.00 0.00 -0.267 OA ATOM 10 N LIG 1 -4.117 0.728 0.815 0.00 0.00 -0.317 N ATOM 11 C LIG 1 -4.872 0.358 2.002 0.00 0.00 +0.152 C ATOM 12 C LIG 1 -2.998 -0.022 0.487 0.00 0.00 +0.097 A ATOM 13 C LIG 1 -2.242 0.233 -0.598 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -2.641 1.357 -1.434 0.00 0.00 +0.018 A ENDBRANCH 1 13 BRANCH 3 15 ATOM 15 C LIG 1 1.805 -2.650 -0.357 0.00 0.00 +0.178 C BRANCH 15 16 ATOM 16 C LIG 1 2.939 -1.815 0.183 0.00 0.00 -0.026 A ATOM 17 C LIG 1 3.763 -1.087 -0.692 0.00 0.00 +0.014 A ATOM 18 C LIG 1 4.819 -0.302 -0.206 0.00 0.00 +0.018 A ATOM 19 C LIG 1 5.041 -0.243 1.176 0.00 0.00 +0.009 A ATOM 20 C LIG 1 4.230 -0.962 2.054 0.00 0.00 +0.001 A ATOM 21 C LIG 1 3.184 -1.744 1.561 0.00 0.00 +0.005 A BRANCH 18 22 ATOM 22 C LIG 1 5.669 0.500 -1.158 0.00 0.00 +0.372 C ATOM 23 F LIG 1 5.922 -0.156 -2.326 0.00 0.00 -0.204 F ATOM 24 F LIG 1 6.891 0.822 -0.646 0.00 0.00 -0.204 F ENDBRANCH 18 22 ENDBRANCH 15 16 ENDBRANCH 3 15 TORSDOF 4