REMARK Name = BDB035433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.796 -0.945 -1.516 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.587 -2.345 -1.534 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.310 -2.908 -1.329 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.253 -2.028 -1.111 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.194 -2.315 -0.848 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.768 -0.986 -0.719 0.00 0.00 -0.248 N ATOM 7 C LIG 1 0.182 0.017 -0.847 0.00 0.00 +0.253 C ATOM 8 O LIG 1 0.080 1.227 -0.758 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.463 -0.652 -1.105 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.708 -0.086 -1.301 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.137 -0.838 -0.431 0.00 0.00 +0.130 A ATOM 12 N LIG 1 -2.837 -1.966 -0.183 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -4.134 -1.859 0.155 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -4.778 -0.629 0.220 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -4.092 0.566 -0.046 0.00 0.00 -0.027 A ATOM 16 C LIG 1 -2.739 0.416 -0.386 0.00 0.00 +0.048 A BRANCH 15 17 ATOM 17 C LIG 1 -4.808 1.996 0.063 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -4.299 3.160 -0.853 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -5.758 3.529 -1.195 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -6.341 4.734 -0.474 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -6.184 2.138 -0.687 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -4.915 2.390 1.599 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -3.949 2.916 2.415 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -2.588 3.257 2.109 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -4.530 3.062 3.639 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -5.772 2.642 3.590 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -6.012 2.205 2.309 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 15 17 BRANCH 13 28 ATOM 28 N LIG 1 -4.786 -3.062 0.406 0.00 0.00 -0.326 N ATOM 29 H LIG 1 -4.062 -3.776 0.350 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 C LIG 1 -5.594 -3.130 1.625 0.00 0.00 +0.072 C ATOM 31 C LIG 1 -5.365 -4.457 2.349 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -6.241 -5.474 1.624 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -7.315 -4.670 0.896 0.00 0.00 +0.002 C ATOM 34 C LIG 1 -7.077 -3.209 1.269 0.00 0.00 +0.022 C ENDBRANCH 28 30 ENDBRANCH 13 28 ENDBRANCH 6 11 BRANCH 3 35 ATOM 35 C LIG 1 2.089 -4.397 -1.340 0.00 0.00 +0.418 C ATOM 36 F LIG 1 1.567 -4.850 -0.168 0.00 0.00 -0.166 F ATOM 37 F LIG 1 1.219 -4.781 -2.312 0.00 0.00 -0.166 F ATOM 38 F LIG 1 3.227 -5.115 -1.547 0.00 0.00 -0.166 F ENDBRANCH 3 35 BRANCH 1 39 ATOM 39 C LIG 1 5.185 -0.366 -1.732 0.00 0.00 +0.120 C BRANCH 39 41 ATOM 40 C LIG 1 6.937 1.195 -0.880 0.00 0.00 +0.074 C ATOM 41 N LIG 1 5.655 0.461 -0.608 0.00 0.00 -0.293 NA ATOM 42 C LIG 1 5.791 -0.362 0.619 0.00 0.00 +0.100 C ATOM 43 C LIG 1 6.260 0.441 1.848 0.00 0.00 +0.099 C ATOM 44 N LIG 1 7.508 1.190 1.644 0.00 0.00 -0.303 NA ATOM 45 C LIG 1 8.676 0.313 1.627 0.00 0.00 +0.105 C ATOM 46 C LIG 1 7.388 1.980 0.402 0.00 0.00 +0.103 C BRANCH 40 48 ATOM 47 C LIG 1 7.531 3.499 -2.020 0.00 0.00 +0.009 C ATOM 48 C LIG 1 6.850 2.129 -2.147 0.00 0.00 +0.001 C ATOM 49 C LIG 1 7.455 1.435 -3.382 0.00 0.00 +0.009 C ENDBRANCH 40 48 ENDBRANCH 39 41 ENDBRANCH 1 39 TORSDOF 9