REMARK Name = BDB047157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.332 0.906 0.437 0.00 0.00 +0.051 A ATOM 2 C LIG 1 0.459 -0.245 0.195 0.00 0.00 +0.055 A ATOM 3 C LIG 1 1.827 -0.130 -0.071 0.00 0.00 +0.033 A ATOM 4 C LIG 1 2.456 1.126 -0.103 0.00 0.00 -0.015 A ATOM 5 C LIG 1 1.667 2.260 0.142 0.00 0.00 +0.010 A ATOM 6 C LIG 1 0.296 2.153 0.408 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.351 4.105 0.089 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -3.832 2.766 0.359 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -3.086 2.248 -0.806 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -2.537 0.827 -0.560 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -1.710 0.735 0.667 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -2.307 1.400 1.845 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -2.951 2.773 1.544 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 3.895 1.251 -0.387 0.00 0.00 +0.000 A ATOM 15 C LIG 1 4.503 0.590 -1.455 0.00 0.00 +0.121 A ATOM 16 N LIG 1 5.820 0.671 -1.775 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 6.592 1.444 -0.999 0.00 0.00 +0.116 A ATOM 18 C LIG 1 6.099 2.138 0.094 0.00 0.00 +0.044 A ATOM 19 C LIG 1 4.740 2.042 0.399 0.00 0.00 +0.013 A BRANCH 17 20 ATOM 20 N LIG 1 7.944 1.500 -1.325 0.00 0.00 -0.343 N ATOM 21 H LIG 1 8.256 2.454 -1.451 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 8.059 0.949 -2.173 0.00 0.00 +0.144 HD ENDBRANCH 17 20 ENDBRANCH 4 14 BRANCH 2 23 ATOM 23 N LIG 1 -0.225 -1.479 0.272 0.00 0.00 -0.280 N ATOM 24 H LIG 1 -1.205 -1.349 0.520 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 0.277 -2.743 0.102 0.00 0.00 +0.250 C ATOM 26 O LIG 1 1.423 -3.070 -0.170 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 -0.753 -3.795 0.331 0.00 0.00 +0.065 A ATOM 28 C LIG 1 -1.814 -4.109 -0.619 0.00 0.00 +0.073 A ATOM 29 C LIG 1 -2.691 -5.089 -0.323 0.00 0.00 +0.083 A ATOM 30 C LIG 1 -2.584 -5.841 0.953 0.00 0.00 +0.249 A ATOM 31 O LIG 1 -3.384 -6.723 1.236 0.00 0.00 -0.268 OA ATOM 32 N LIG 1 -1.545 -5.480 1.773 0.00 0.00 -0.328 N ATOM 33 H LIG 1 -1.460 -6.005 2.636 0.00 0.00 +0.168 HD ATOM 34 C LIG 1 -0.643 -4.488 1.475 0.00 0.00 +0.099 A BRANCH 28 35 ATOM 35 C LIG 1 -1.876 -3.350 -1.907 0.00 0.00 +0.418 C ATOM 36 F LIG 1 -2.219 -2.053 -1.701 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -2.809 -3.856 -2.757 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -0.701 -3.357 -2.578 0.00 0.00 -0.166 F ENDBRANCH 28 35 ENDBRANCH 25 27 ENDBRANCH 2 23 TORSDOF 6