REMARK Name = BDB019981 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.227 -0.403 0.937 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.407 -1.756 1.248 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.434 -2.499 0.652 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.285 -1.860 -0.265 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.144 -0.496 -0.572 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.099 0.221 0.036 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.609 -3.921 0.967 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.535 -4.387 1.916 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -3.405 -3.441 2.696 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -2.707 -5.707 2.194 0.00 0.00 -0.260 NA ATOM 11 C LIG 1 -1.937 -6.594 1.531 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -0.993 -6.234 0.588 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -0.832 -4.882 0.305 0.00 0.00 +0.012 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 1.369 1.447 0.950 0.00 0.00 -0.307 N ATOM 15 H LIG 1 1.097 1.622 -0.007 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 0.887 0.332 1.602 0.00 0.00 +0.244 C ATOM 17 O LIG 1 1.348 -0.083 2.660 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 2.526 2.164 1.437 0.00 0.00 +0.140 C BRANCH 18 23 ATOM 19 C LIG 1 5.420 1.813 -0.978 0.00 0.00 +0.215 A ATOM 20 N LIG 1 6.087 0.727 -0.531 0.00 0.00 -0.221 NA ATOM 21 C LIG 1 5.584 0.119 0.564 0.00 0.00 +0.115 A ATOM 22 C LIG 1 4.450 0.548 1.234 0.00 0.00 +0.025 A ATOM 23 C LIG 1 3.779 1.679 0.761 0.00 0.00 -0.024 A ATOM 24 C LIG 1 4.277 2.318 -0.378 0.00 0.00 +0.072 A BRANCH 19 26 ATOM 25 C LIG 1 7.049 1.920 -2.652 0.00 0.00 +0.279 C ATOM 26 O LIG 1 5.867 2.487 -2.098 0.00 0.00 -0.480 OA ENDBRANCH 19 26 ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 27 ATOM 27 C LIG 1 -3.073 0.137 -1.591 0.00 0.00 +0.159 C BRANCH 27 28 ATOM 28 N LIG 1 -3.378 1.522 -1.301 0.00 0.00 -0.313 N ATOM 29 C LIG 1 -2.700 2.635 -1.814 0.00 0.00 +0.204 A ATOM 30 N LIG 1 -1.704 2.688 -2.625 0.00 0.00 -0.268 NA ATOM 31 H LIG 1 -1.444 1.748 -2.917 0.00 0.00 +0.190 HD ATOM 32 N LIG 1 -3.326 3.727 -1.208 0.00 0.00 -0.320 N ATOM 33 C LIG 1 -2.878 5.087 -1.373 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -4.304 3.287 -0.331 0.00 0.00 +0.106 A ATOM 35 C LIG 1 -4.342 1.949 -0.390 0.00 0.00 +0.107 A ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 7