REMARK Name = BDB005677 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.489 0.043 0.329 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -1.167 1.197 -0.024 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -2.439 0.735 -0.365 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -3.414 1.615 -0.831 0.00 0.00 +0.063 A ATOM 5 C LIG 1 -3.029 2.938 -0.925 0.00 0.00 +0.130 A ATOM 6 N LIG 1 -1.802 3.406 -0.586 0.00 0.00 -0.240 NA ATOM 7 N LIG 1 -2.551 -0.614 -0.173 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -0.851 2.557 -0.115 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -1.385 -1.006 0.277 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -1.028 -2.270 0.634 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -1.639 -2.703 1.916 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -1.597 -4.234 2.029 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -1.960 -4.466 3.486 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -1.304 -3.296 4.230 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -2.483 -4.869 1.112 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -2.556 -4.141 -0.134 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -0.866 -2.286 3.158 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -1.304 -3.285 -0.438 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 -3.998 3.930 -1.418 0.00 0.00 +0.268 A ATOM 20 O LIG 1 -3.560 5.212 -1.486 0.00 0.00 -0.386 OA ATOM 21 C LIG 1 -4.632 5.898 -1.962 0.00 0.00 +0.436 A ATOM 22 O LIG 1 -4.680 7.095 -2.179 0.00 0.00 -0.221 OA ATOM 23 N LIG 1 -5.628 4.978 -2.144 0.00 0.00 -0.208 N ATOM 24 H LIG 1 -6.555 5.181 -2.490 0.00 0.00 +0.195 HD ATOM 25 N LIG 1 -5.224 3.727 -1.798 0.00 0.00 -0.128 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 0.407 3.172 0.271 0.00 0.00 +0.022 A ATOM 27 C LIG 1 0.771 3.334 1.614 0.00 0.00 +0.033 A ATOM 28 C LIG 1 1.984 3.935 1.935 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 2.458 4.117 3.574 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 2.802 4.370 0.904 0.00 0.00 +0.130 A ATOM 31 N LIG 1 2.484 4.249 -0.406 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 1.288 3.675 -0.687 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 1 33 ATOM 33 C LIG 1 0.919 -0.089 0.661 0.00 0.00 +0.128 C BRANCH 33 38 ATOM 34 C LIG 1 5.128 -0.963 -3.318 0.00 0.00 +0.007 C ATOM 35 C LIG 1 4.169 -1.049 -2.132 0.00 0.00 -0.014 C ATOM 36 C LIG 1 2.726 -1.229 -2.615 0.00 0.00 +0.003 C ATOM 37 C LIG 1 1.737 -1.266 -1.450 0.00 0.00 +0.005 C ATOM 38 C LIG 1 1.859 -0.022 -0.556 0.00 0.00 +0.009 C ATOM 39 C LIG 1 3.310 0.152 -0.078 0.00 0.00 +0.005 C ATOM 40 C LIG 1 4.292 0.196 -1.246 0.00 0.00 +0.003 C ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 5