REMARK Name = BDB051095 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.404 0.375 0.923 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.217 1.124 2.079 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.826 1.956 2.206 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.120 1.022 3.133 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.229 0.180 3.020 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.455 -0.554 1.843 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.523 -0.458 0.798 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.076 0.886 -1.284 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.526 0.488 -0.212 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.839 0.105 -0.033 0.00 0.00 -0.297 N ATOM 11 C LIG 1 2.794 0.195 -1.127 0.00 0.00 +0.115 C ATOM 12 C LIG 1 4.160 -0.121 -0.490 0.00 0.00 -0.010 C ATOM 13 C LIG 1 5.114 -0.759 -1.518 0.00 0.00 +0.023 C ATOM 14 C LIG 1 6.573 -0.458 -1.188 0.00 0.00 +0.081 C ATOM 15 N LIG 1 6.868 0.974 -1.236 0.00 0.00 -0.316 NA ATOM 16 H LIG 1 7.685 1.168 -0.658 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 5.751 1.832 -0.839 0.00 0.00 +0.081 C ATOM 18 C LIG 1 4.792 1.151 0.134 0.00 0.00 +0.023 C ATOM 19 C LIG 1 3.740 -1.111 0.619 0.00 0.00 +0.027 C ATOM 20 C LIG 1 2.423 -0.542 1.132 0.00 0.00 +0.108 C ENDBRANCH 1 9 BRANCH 6 21 ATOM 21 C LIG 1 -3.655 -1.472 1.751 0.00 0.00 +0.093 C BRANCH 21 22 ATOM 22 C LIG 1 -4.322 -1.501 0.382 0.00 0.00 +0.074 A ATOM 23 C LIG 1 -5.158 -0.357 -0.065 0.00 0.00 +0.011 A ATOM 24 C LIG 1 -5.736 -0.449 -1.329 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -6.536 0.587 -1.826 0.00 0.00 +0.014 A ATOM 26 C LIG 1 -6.758 1.723 -1.050 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -6.183 1.822 0.216 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -5.498 -1.652 -2.143 0.00 0.00 +0.272 A ATOM 29 O LIG 1 -5.997 -1.782 -3.255 0.00 0.00 -0.266 OA ATOM 30 N LIG 1 -4.697 -2.614 -1.579 0.00 0.00 -0.242 N ATOM 31 H LIG 1 -4.517 -3.448 -2.129 0.00 0.00 +0.192 HD ATOM 32 C LIG 1 -5.385 0.786 0.712 0.00 0.00 +0.010 A ATOM 33 N LIG 1 -4.117 -2.557 -0.350 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 6 21 TORSDOF 3