REMARK Name = BDB028336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.169 -3.437 0.995 0.00 0.00 +0.173 C ATOM 2 N LIG 1 1.906 -3.018 1.560 0.00 0.00 -0.266 N ATOM 3 C LIG 1 1.184 -1.878 1.274 0.00 0.00 +0.078 A ATOM 4 C LIG 1 0.071 -1.938 2.105 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.228 -3.139 2.830 0.00 0.00 +0.143 A ATOM 6 N LIG 1 1.338 -3.798 2.502 0.00 0.00 -0.179 NA ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -0.983 -0.942 2.193 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -1.593 -0.433 1.037 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -2.594 0.542 1.130 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -2.993 0.997 2.383 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -4.037 2.030 2.472 0.00 0.00 +0.272 A ATOM 12 N LIG 1 -4.544 2.483 1.279 0.00 0.00 -0.242 N ATOM 13 H LIG 1 -5.262 3.200 1.321 0.00 0.00 +0.192 HD ATOM 14 N LIG 1 -4.171 2.066 0.038 0.00 0.00 -0.174 NA ATOM 15 O LIG 1 -4.422 2.456 3.555 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -2.406 0.484 3.545 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -3.256 1.145 -0.055 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -1.405 -0.484 3.448 0.00 0.00 +0.009 A BRANCH 17 19 ATOM 19 C LIG 1 -2.853 0.700 -1.459 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -1.558 1.292 -1.793 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -1.309 1.045 -2.751 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -1.653 2.309 -1.788 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 4 7 BRANCH 3 23 ATOM 23 C LIG 1 1.620 -0.851 0.319 0.00 0.00 +0.020 A ATOM 24 C LIG 1 1.539 -1.015 -1.081 0.00 0.00 +0.058 A ATOM 25 CL LIG 1 0.880 -2.498 -1.724 0.00 0.00 -0.082 Cl ATOM 26 C LIG 1 1.965 0.013 -1.970 0.00 0.00 +0.001 A ATOM 27 C LIG 1 2.466 1.216 -1.412 0.00 0.00 -0.016 A ATOM 28 C LIG 1 2.893 2.259 -2.251 0.00 0.00 +0.008 A ATOM 29 C LIG 1 2.833 2.136 -3.638 0.00 0.00 +0.001 A ATOM 30 C LIG 1 2.347 0.967 -4.205 0.00 0.00 +0.001 A ATOM 31 C LIG 1 2.535 1.368 -0.021 0.00 0.00 +0.009 A ATOM 32 C LIG 1 1.918 -0.078 -3.384 0.00 0.00 +0.010 A ATOM 33 C LIG 1 2.117 0.350 0.834 0.00 0.00 +0.012 A ENDBRANCH 3 23 TORSDOF 4