REMARK Name = BDB016404 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.109 0.062 -0.050 0.00 0.00 -0.006 A ATOM 2 C LIG 1 2.176 -0.657 0.716 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.812 -0.583 0.369 0.00 0.00 +0.033 A ATOM 4 C LIG 1 0.355 0.159 -0.734 0.00 0.00 +0.038 A ATOM 5 N LIG 1 -1.029 0.201 -1.022 0.00 0.00 -0.298 N ATOM 6 C LIG 1 -1.456 1.139 -2.080 0.00 0.00 +0.111 C ATOM 7 C LIG 1 -0.466 1.170 -3.234 0.00 0.00 +0.024 C ATOM 8 C LIG 1 0.887 1.635 -2.720 0.00 0.00 +0.038 C ATOM 9 C LIG 1 1.303 0.845 -1.509 0.00 0.00 -0.025 A ATOM 10 C LIG 1 2.662 0.804 -1.155 0.00 0.00 +0.014 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -1.896 -0.936 -0.931 0.00 0.00 +0.057 A ATOM 12 C LIG 1 -3.099 -0.849 -0.160 0.00 0.00 +0.070 A ATOM 13 N LIG 1 -3.266 0.326 0.599 0.00 0.00 -0.338 N ATOM 14 H LIG 1 -2.582 1.021 0.296 0.00 0.00 +0.146 HD ATOM 15 C LIG 1 -4.613 0.818 0.810 0.00 0.00 +0.076 C ATOM 16 C LIG 1 -5.232 0.021 1.938 0.00 0.00 +0.118 C ATOM 17 C LIG 1 -5.826 -1.261 1.445 0.00 0.00 +0.219 C ATOM 18 N LIG 1 -5.180 -2.072 0.572 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -5.709 -2.923 0.426 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -6.920 -1.642 1.880 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -4.528 2.298 1.194 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -3.963 -1.962 -0.133 0.00 0.00 +0.056 A ATOM 23 C LIG 1 -3.625 -3.110 -0.878 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -2.444 -3.188 -1.614 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -1.578 -2.105 -1.637 0.00 0.00 +0.025 A ENDBRANCH 5 11 BRANCH 2 26 ATOM 26 C LIG 1 2.572 -1.472 1.920 0.00 0.00 +0.372 C ATOM 27 F LIG 1 3.716 -2.193 1.756 0.00 0.00 -0.204 F ATOM 28 F LIG 1 2.767 -0.701 3.027 0.00 0.00 -0.204 F ENDBRANCH 2 26 BRANCH 1 30 ATOM 29 C LIG 1 4.986 0.864 1.274 0.00 0.00 +0.077 C ATOM 30 C LIG 1 4.552 0.091 0.263 0.00 0.00 +0.013 C BRANCH 29 32 ATOM 31 C LIG 1 6.580 2.127 2.720 0.00 0.00 +0.125 C ATOM 32 N LIG 1 6.257 1.099 1.753 0.00 0.00 -0.352 N ATOM 33 H LIG 1 7.026 0.819 1.152 0.00 0.00 +0.145 HD ENDBRANCH 29 32 BRANCH 30 34 ATOM 34 C LIG 1 5.508 -0.726 -0.528 0.00 0.00 +0.111 C ATOM 35 N LIG 1 5.208 -1.347 -1.622 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 6.033 -1.849 -1.968 0.00 0.00 +0.186 HD ENDBRANCH 30 34 ENDBRANCH 1 30 TORSDOF 5