REMARK Name = BDB016789 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.788 -1.019 0.020 0.00 0.00 -0.252 N ATOM 2 C LIG 1 0.940 0.201 -0.255 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -0.406 -0.358 -0.023 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.371 -1.656 0.372 0.00 0.00 +0.150 A ATOM 5 N LIG 1 -1.609 -2.158 0.571 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 -2.429 -1.150 0.303 0.00 0.00 +0.139 A ATOM 7 N LIG 1 -1.720 -0.015 -0.122 0.00 0.00 -0.323 N ATOM 8 C LIG 1 0.987 -2.135 0.425 0.00 0.00 +0.272 C ATOM 9 O LIG 1 1.322 -3.269 0.722 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 6.087 -3.436 0.726 0.00 0.00 +0.047 C ATOM 11 C LIG 1 5.337 -2.247 0.183 0.00 0.00 -0.004 A ATOM 12 C LIG 1 5.996 -1.171 -0.486 0.00 0.00 +0.164 A ATOM 13 N LIG 1 5.226 -0.114 -0.932 0.00 0.00 -0.285 N ATOM 14 C LIG 1 6.120 0.760 -1.513 0.00 0.00 +0.135 A ATOM 15 N LIG 1 7.336 0.260 -1.431 0.00 0.00 -0.134 NA ATOM 16 C LIG 1 5.745 2.054 -2.124 0.00 0.00 +0.088 C ATOM 17 C LIG 1 3.845 -0.043 -0.780 0.00 0.00 +0.118 A ATOM 18 C LIG 1 3.175 -1.039 -0.161 0.00 0.00 +0.055 A ATOM 19 N LIG 1 7.258 -0.952 -0.785 0.00 0.00 -0.129 NA ATOM 20 C LIG 1 3.990 -2.162 0.330 0.00 0.00 +0.032 A ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 1.274 1.365 0.666 0.00 0.00 -0.021 A ATOM 22 C LIG 1 1.302 1.212 2.064 0.00 0.00 +0.007 A ATOM 23 C LIG 1 1.615 2.290 2.896 0.00 0.00 +0.020 A ATOM 24 C LIG 1 1.904 3.533 2.339 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 2.286 4.862 3.361 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 1.884 3.707 0.958 0.00 0.00 +0.020 A ATOM 27 C LIG 1 1.571 2.629 0.125 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -3.857 -1.155 0.355 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -4.704 -1.870 -0.689 0.00 0.00 +0.122 C ATOM 30 N LIG 1 -6.108 -2.096 -0.297 0.00 0.00 -0.301 NA ATOM 31 C LIG 1 -6.894 -2.566 -1.433 0.00 0.00 +0.105 C ATOM 32 C LIG 1 -6.687 -0.886 0.294 0.00 0.00 +0.088 C ATOM 33 C LIG 1 -5.930 -0.495 1.573 0.00 0.00 +0.043 C ATOM 34 C LIG 1 -4.437 -0.552 1.413 0.00 0.00 -0.017 C ENDBRANCH 6 28 BRANCH 7 35 ATOM 35 C LIG 1 -2.301 1.230 -0.619 0.00 0.00 +0.083 C ATOM 36 C LIG 1 -2.283 2.337 0.433 0.00 0.00 +0.030 C ATOM 37 C LIG 1 -1.685 1.695 -1.939 0.00 0.00 +0.030 C ENDBRANCH 7 35 TORSDOF 4