REMARK Name = BDB064208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.267 -0.491 -0.244 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.181 0.186 0.888 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.000 1.243 0.784 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.210 -0.225 2.158 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.082 -1.306 2.301 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.579 -1.977 1.173 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.153 -1.568 -0.100 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 5.036 -0.082 -1.078 0.00 0.00 +0.032 C ATOM 9 C LIG 1 3.734 0.726 -1.122 0.00 0.00 +0.105 C ATOM 10 N LIG 1 3.739 1.726 -2.180 0.00 0.00 -0.304 N ATOM 11 C LIG 1 2.811 1.778 -3.192 0.00 0.00 +0.152 A ATOM 12 N LIG 1 3.146 2.733 -4.030 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 4.224 3.396 -3.497 0.00 0.00 -0.127 NA ATOM 14 C LIG 1 1.618 0.896 -3.243 0.00 0.00 +0.184 C ATOM 15 N LIG 1 1.383 0.329 -1.916 0.00 0.00 -0.288 N ATOM 16 C LIG 1 0.077 -0.040 -1.609 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.837 -0.003 -2.432 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.525 2.841 -2.335 0.00 0.00 +0.190 A ATOM 19 C LIG 1 2.562 -0.270 -1.288 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 5.482 3.359 -1.401 0.00 0.00 +0.145 A ATOM 21 S LIG 1 6.528 4.668 -1.804 0.00 0.00 -0.073 S ATOM 22 C LIG 1 7.199 4.612 -0.229 0.00 0.00 +0.067 A ATOM 23 C LIG 1 6.594 3.611 0.496 0.00 0.00 +0.119 A ATOM 24 N LIG 1 5.617 2.896 -0.172 0.00 0.00 -0.244 NA ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 25 ATOM 25 C LIG 1 -2.555 -3.123 1.326 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.821 -2.728 2.078 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -4.907 -1.991 1.380 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -6.020 -1.631 2.138 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -7.083 -0.926 1.560 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.032 -0.580 0.210 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.924 -0.940 -0.555 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.072 -2.005 3.561 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -7.032 -1.713 4.265 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -4.989 -2.699 4.044 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -5.011 -2.969 5.022 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -4.864 -1.645 0.024 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -3.883 -3.053 3.337 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4