REMARK Name = BDB014395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.421 -0.200 -0.519 0.00 0.00 +0.067 A ATOM 2 C LIG 1 -4.144 0.052 0.026 0.00 0.00 +0.103 A ATOM 3 C LIG 1 -4.041 0.846 1.166 0.00 0.00 +0.071 A ATOM 4 N LIG 1 -2.696 0.886 1.431 0.00 0.00 -0.326 N ATOM 5 H LIG 1 -2.260 1.332 2.220 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 -2.035 0.164 0.469 0.00 0.00 +0.197 A ATOM 7 C LIG 1 -5.143 1.409 1.811 0.00 0.00 +0.066 A ATOM 8 C LIG 1 -6.393 1.145 1.250 0.00 0.00 +0.126 A ATOM 9 F LIG 1 -7.482 1.666 1.832 0.00 0.00 -0.205 F ATOM 10 N LIG 1 -2.889 -0.369 -0.374 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -6.545 0.361 0.112 0.00 0.00 +0.053 A ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 -0.683 0.015 0.505 0.00 0.00 -0.298 N ATOM 13 C LIG 1 0.147 1.232 0.668 0.00 0.00 +0.127 C ATOM 14 C LIG 1 1.621 0.869 0.962 0.00 0.00 +0.124 C ATOM 15 N LIG 1 2.170 -0.022 -0.085 0.00 0.00 -0.326 N ATOM 16 C LIG 1 1.343 -1.248 -0.259 0.00 0.00 +0.124 C ATOM 17 C LIG 1 -0.133 -0.891 -0.536 0.00 0.00 +0.127 C BRANCH 15 18 ATOM 18 C LIG 1 3.551 -0.270 -0.072 0.00 0.00 +0.048 A ATOM 19 C LIG 1 4.414 0.052 0.979 0.00 0.00 +0.134 A ATOM 20 N LIG 1 5.755 -0.169 0.999 0.00 0.00 -0.249 NA ATOM 21 C LIG 1 6.315 -0.748 -0.097 0.00 0.00 +0.144 A ATOM 22 C LIG 1 5.547 -1.087 -1.208 0.00 0.00 +0.034 A ATOM 23 C LIG 1 4.171 -0.844 -1.187 0.00 0.00 +0.027 A BRANCH 21 24 ATOM 24 C LIG 1 7.818 -0.995 -0.135 0.00 0.00 +0.434 C ATOM 25 F LIG 1 8.135 -2.208 -0.679 0.00 0.00 -0.164 F ATOM 26 F LIG 1 8.480 -0.074 -0.895 0.00 0.00 -0.164 F ATOM 27 F LIG 1 8.422 -0.975 1.087 0.00 0.00 -0.164 F ENDBRANCH 21 24 ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 1 31 ATOM 28 N LIG 1 -4.497 -1.561 -2.310 0.00 0.00 -0.325 N ATOM 29 H LIG 1 -4.599 -2.135 -3.134 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 -3.570 -1.391 -1.925 0.00 0.00 +0.145 HD ATOM 31 C LIG 1 -5.611 -1.033 -1.728 0.00 0.00 +0.244 C ATOM 32 O LIG 1 -6.726 -1.242 -2.190 0.00 0.00 -0.270 OA ENDBRANCH 1 31 TORSDOF 4