REMARK Name = BDB035337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.885 -0.125 4.644 0.00 0.00 +0.173 C ATOM 2 N LIG 1 -0.246 -0.373 3.779 0.00 0.00 -0.266 N ATOM 3 C LIG 1 -0.227 -0.598 2.418 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.560 -0.745 2.065 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -2.280 -0.600 3.267 0.00 0.00 +0.143 A ATOM 6 N LIG 1 -1.481 -0.393 4.314 0.00 0.00 -0.179 NA ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.038 -0.969 0.720 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -2.624 0.089 0.007 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -3.064 -0.082 -1.315 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -2.925 -1.360 -1.889 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -3.400 -1.593 -3.276 0.00 0.00 +0.256 A ATOM 12 N LIG 1 -3.957 -0.511 -3.911 0.00 0.00 -0.328 N ATOM 13 H LIG 1 -4.286 -0.679 -4.854 0.00 0.00 +0.168 HD ATOM 14 C LIG 1 -4.074 0.736 -3.361 0.00 0.00 +0.091 A ATOM 15 O LIG 1 -3.301 -2.687 -3.821 0.00 0.00 -0.267 OA ATOM 16 C LIG 1 -2.352 -2.423 -1.179 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -3.655 1.026 -2.116 0.00 0.00 -0.010 A ATOM 18 C LIG 1 -1.903 -2.225 0.125 0.00 0.00 +0.009 A BRANCH 17 19 ATOM 19 C LIG 1 -3.748 2.406 -1.503 0.00 0.00 +0.115 C BRANCH 19 20 ATOM 20 N LIG 1 -4.206 3.455 -2.415 0.00 0.00 -0.326 NA ATOM 21 H LIG 1 -4.335 4.312 -1.878 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -3.449 3.661 -3.067 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 4 7 BRANCH 3 23 ATOM 23 C LIG 1 0.988 -0.641 1.601 0.00 0.00 +0.022 A ATOM 24 C LIG 1 1.360 0.414 0.745 0.00 0.00 +0.102 A ATOM 25 C LIG 1 2.534 0.304 -0.016 0.00 0.00 +0.139 A ATOM 26 C LIG 1 3.312 -0.858 0.043 0.00 0.00 +0.059 A ATOM 27 C LIG 1 2.945 -1.920 0.881 0.00 0.00 +0.059 A ATOM 28 C LIG 1 1.786 -1.796 1.663 0.00 0.00 +0.024 A BRANCH 27 29 ATOM 29 C LIG 1 3.788 -3.170 0.966 0.00 0.00 +0.418 C ATOM 30 F LIG 1 4.576 -3.176 2.075 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.626 -3.329 -0.094 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.040 -4.305 1.028 0.00 0.00 -0.166 F ENDBRANCH 27 29 BRANCH 24 33 ATOM 33 C LIG 1 0.565 1.608 0.652 0.00 0.00 +0.103 C ATOM 34 N LIG 1 -0.084 2.570 0.588 0.00 0.00 -0.191 NA ENDBRANCH 24 33 BRANCH 25 35 ATOM 35 O LIG 1 2.854 1.342 -0.860 0.00 0.00 -0.487 OA BRANCH 35 36 ATOM 36 C LIG 1 4.256 1.674 -0.919 0.00 0.00 +0.174 C ATOM 37 C LIG 1 4.974 1.316 -2.192 0.00 0.00 +0.048 C ATOM 38 C LIG 1 4.601 2.743 -1.921 0.00 0.00 +0.048 C ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 3 23 TORSDOF 8