REMARK Name = BDB034805 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.344 1.736 2.500 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.688 0.967 1.379 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -1.932 0.365 1.344 0.00 0.00 +0.072 A ATOM 4 N LIG 1 -2.516 -0.458 0.366 0.00 0.00 -0.292 N ATOM 5 C LIG 1 -3.790 -0.857 0.818 0.00 0.00 +0.330 A ATOM 6 N LIG 1 -4.008 -0.203 2.048 0.00 0.00 -0.290 N ATOM 7 O LIG 1 -4.569 -1.614 0.259 0.00 0.00 -0.246 OA ATOM 8 C LIG 1 -2.855 0.525 2.378 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -2.565 1.294 3.483 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -1.304 1.906 3.530 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 0.880 2.431 2.605 0.00 0.00 -0.298 N ATOM 12 H LIG 1 1.031 2.834 3.525 0.00 0.00 +0.154 HD BRANCH 11 15 ATOM 13 C LIG 1 3.475 0.910 0.561 0.00 0.00 +0.220 A ATOM 14 N LIG 1 2.302 1.106 1.188 0.00 0.00 -0.198 NA ATOM 15 C LIG 1 2.127 2.196 1.966 0.00 0.00 +0.147 A ATOM 16 C LIG 1 3.144 3.127 2.122 0.00 0.00 +0.099 A ATOM 17 CL LIG 1 2.999 4.531 3.104 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 4.310 2.863 1.450 0.00 0.00 +0.137 A ATOM 19 N LIG 1 4.494 1.776 0.677 0.00 0.00 -0.221 NA BRANCH 13 28 ATOM 20 C LIG 1 5.976 -2.215 -0.994 0.00 0.00 +0.015 C ATOM 21 C LIG 1 5.011 -1.438 -1.889 0.00 0.00 +0.073 C ATOM 22 C LIG 1 3.735 -2.187 -2.241 0.00 0.00 +0.257 C ATOM 23 F LIG 1 4.035 -3.418 -2.731 0.00 0.00 -0.205 F ATOM 24 F LIG 1 3.158 -1.519 -3.292 0.00 0.00 -0.205 F ATOM 25 C LIG 1 2.673 -2.301 -1.159 0.00 0.00 +0.073 C ATOM 26 C LIG 1 2.990 -3.317 -0.062 0.00 0.00 +0.015 C ATOM 27 C LIG 1 2.402 -0.911 -0.582 0.00 0.00 +0.117 C ATOM 28 N LIG 1 3.657 -0.250 -0.207 0.00 0.00 -0.299 N ATOM 29 C LIG 1 4.641 -0.084 -1.284 0.00 0.00 +0.117 C ENDBRANCH 13 28 ENDBRANCH 11 15 ENDBRANCH 1 11 BRANCH 6 30 ATOM 30 C LIG 1 -5.170 -0.394 2.892 0.00 0.00 +0.154 C BRANCH 30 31 ATOM 31 C LIG 1 -6.481 -0.020 2.190 0.00 0.00 +0.177 C BRANCH 31 32 ATOM 32 O LIG 1 -6.976 -1.081 1.379 0.00 0.00 -0.393 OA ATOM 33 H LIG 1 -6.240 -1.382 0.801 0.00 0.00 +0.209 HD ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 6 30 BRANCH 4 34 ATOM 34 C LIG 1 -1.863 -0.984 -0.806 0.00 0.00 +0.130 C BRANCH 34 35 ATOM 35 C LIG 1 -2.551 -0.643 -2.130 0.00 0.00 +0.056 C BRANCH 35 36 ATOM 36 C LIG 1 -2.472 0.815 -2.624 0.00 0.00 +0.062 C ATOM 37 C LIG 1 -3.297 1.791 -1.786 0.00 0.00 +0.041 C ATOM 38 C LIG 1 -1.032 1.310 -2.757 0.00 0.00 +0.041 C BRANCH 36 39 ATOM 39 O LIG 1 -3.025 0.832 -3.951 0.00 0.00 -0.389 OA ATOM 40 H LIG 1 -3.958 0.559 -3.889 0.00 0.00 +0.210 HD ENDBRANCH 36 39 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 10