REMARK Name = BDB008005 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.909 -0.499 1.793 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -0.810 0.497 2.763 0.00 0.00 +0.136 A ATOM 3 F LIG 1 0.158 0.459 3.689 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.700 1.570 2.765 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.704 1.636 1.798 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -2.813 0.611 0.856 0.00 0.00 +0.131 A ATOM 7 C LIG 1 -1.921 -0.458 0.832 0.00 0.00 +0.062 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.419 -2.715 2.200 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.017 -1.639 1.801 0.00 0.00 +0.250 C ATOM 10 N LIG 1 1.305 -1.458 1.309 0.00 0.00 -0.294 N ATOM 11 C LIG 1 2.188 -2.628 1.231 0.00 0.00 +0.127 C ATOM 12 C LIG 1 3.161 -2.551 0.050 0.00 0.00 +0.127 C ATOM 13 N LIG 1 3.950 -1.316 0.042 0.00 0.00 -0.294 N ATOM 14 C LIG 1 5.073 -1.270 -0.768 0.00 0.00 +0.249 C ATOM 15 O LIG 1 5.434 -2.183 -1.505 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 3.360 -0.154 0.721 0.00 0.00 +0.127 C ATOM 17 C LIG 1 1.825 -0.204 0.747 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 5.918 -0.067 -0.739 0.00 0.00 +0.067 A ATOM 19 C LIG 1 6.063 0.745 -1.863 0.00 0.00 +0.138 A ATOM 20 C LIG 1 6.946 1.832 -1.860 0.00 0.00 +0.033 A ATOM 21 C LIG 1 7.690 2.100 -0.709 0.00 0.00 +0.002 A ATOM 22 C LIG 1 7.553 1.289 0.422 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.675 0.201 0.409 0.00 0.00 +0.015 A BRANCH 19 24 ATOM 24 N LIG 1 5.243 0.523 -3.038 0.00 0.00 +0.057 N ATOM 25 O LIG 1 5.821 0.481 -4.132 0.00 0.00 -0.126 OA ATOM 26 O LIG 1 4.016 0.477 -2.866 0.00 0.00 -0.126 OA ENDBRANCH 19 24 ENDBRANCH 14 18 ENDBRANCH 1 9 BRANCH 6 27 ATOM 27 O LIG 1 -3.794 0.677 -0.143 0.00 0.00 -0.436 OA BRANCH 27 28 ATOM 28 C LIG 1 -5.085 0.367 0.252 0.00 0.00 +0.246 A ATOM 29 C LIG 1 -6.017 0.466 -0.881 0.00 0.00 +0.051 A ATOM 30 C LIG 1 -7.352 0.177 -0.610 0.00 0.00 +0.053 A ATOM 31 C LIG 1 -8.310 0.245 -1.628 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -7.924 0.603 -2.920 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.586 0.892 -3.194 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -7.743 -0.202 0.761 0.00 0.00 +0.273 A ATOM 35 O LIG 1 -8.907 -0.463 1.042 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -6.732 -0.241 1.694 0.00 0.00 -0.239 N ATOM 37 H LIG 1 -6.978 -0.511 2.642 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -5.629 0.825 -2.178 0.00 0.00 +0.014 A ATOM 39 N LIG 1 -5.415 0.035 1.461 0.00 0.00 -0.132 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 5