REMARK Name = BDB011176 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.928 3.296 -1.289 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -3.560 1.937 -1.214 0.00 0.00 +0.114 A ATOM 3 N LIG 1 -4.202 1.032 -1.983 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 -3.921 -0.277 -1.840 0.00 0.00 +0.127 A ATOM 5 C LIG 1 -2.937 -0.741 -0.999 0.00 0.00 +0.082 A ATOM 6 C LIG 1 -2.156 0.163 -0.299 0.00 0.00 +0.070 A ATOM 7 N LIG 1 -0.987 -0.380 0.337 0.00 0.00 -0.289 N ATOM 8 C LIG 1 -0.916 -1.758 0.643 0.00 0.00 +0.337 A ATOM 9 O LIG 1 0.126 -2.249 1.082 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 -2.055 -2.516 0.349 0.00 0.00 -0.228 N ATOM 11 C LIG 1 -2.732 -2.176 -0.814 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -3.165 -2.926 -1.683 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -2.538 1.540 -0.311 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -2.026 2.525 0.571 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -2.410 3.860 0.495 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -3.346 4.251 -0.449 0.00 0.00 +0.048 A ENDROOT BRANCH 7 17 ATOM 17 C LIG 1 0.284 0.397 0.300 0.00 0.00 +0.095 C ATOM 18 C LIG 1 1.298 -0.160 -0.718 0.00 0.00 +0.044 C ATOM 19 C LIG 1 2.529 0.738 -0.784 0.00 0.00 +0.110 C ATOM 20 N LIG 1 3.111 0.971 0.541 0.00 0.00 -0.297 N ATOM 21 C LIG 1 4.443 1.388 0.679 0.00 0.00 +0.247 C ATOM 22 O LIG 1 4.818 2.170 1.550 0.00 0.00 -0.270 OA ATOM 23 C LIG 1 2.184 1.444 1.565 0.00 0.00 +0.110 C ATOM 24 C LIG 1 0.951 0.552 1.675 0.00 0.00 +0.044 C BRANCH 21 25 ATOM 25 C LIG 1 5.462 0.838 -0.247 0.00 0.00 +0.037 A ATOM 26 C LIG 1 5.538 -0.539 -0.488 0.00 0.00 +0.013 A ATOM 27 C LIG 1 6.522 -1.039 -1.342 0.00 0.00 +0.001 A ATOM 28 C LIG 1 7.434 -0.168 -1.940 0.00 0.00 +0.000 A ATOM 29 C LIG 1 7.374 1.202 -1.678 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.392 1.707 -0.825 0.00 0.00 +0.013 A ENDBRANCH 21 25 ENDBRANCH 7 17 BRANCH 10 31 ATOM 31 C LIG 1 -2.260 -3.810 0.985 0.00 0.00 +0.056 A ATOM 32 C LIG 1 -1.595 -4.152 2.179 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -1.818 -5.376 2.821 0.00 0.00 +0.043 A ATOM 34 CL LIG 1 -0.973 -5.745 4.275 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 -2.726 -6.291 2.308 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -3.427 -5.968 1.153 0.00 0.00 +0.003 A ATOM 37 C LIG 1 -3.204 -4.741 0.512 0.00 0.00 +0.026 A ENDBRANCH 10 31 BRANCH 1 39 ATOM 38 C LIG 1 -5.318 4.949 -2.339 0.00 0.00 +0.277 C ATOM 39 O LIG 1 -4.896 3.598 -2.223 0.00 0.00 -0.493 OA ENDBRANCH 1 39 TORSDOF 4