REMARK Name = BDB010637 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.393 0.825 -0.542 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.193 1.992 -0.097 0.00 0.00 +0.115 A ATOM 3 C LIG 1 0.673 2.441 0.888 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.463 3.529 1.644 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -0.684 4.152 1.359 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -1.586 3.807 0.412 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 1.776 1.651 0.985 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.348 2.720 -0.356 0.00 0.00 +0.102 A ATOM 9 C LIG 1 1.629 0.717 0.075 0.00 0.00 +0.201 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 2.518 -0.277 -0.227 0.00 0.00 -0.293 N ATOM 11 C LIG 1 3.475 -0.628 0.875 0.00 0.00 +0.105 C ATOM 12 C LIG 1 4.705 -1.462 0.386 0.00 0.00 +0.139 C ATOM 13 C LIG 1 4.393 -2.958 0.363 0.00 0.00 +0.033 C ATOM 14 C LIG 1 4.037 -3.493 1.750 0.00 0.00 +0.003 C ATOM 15 C LIG 1 3.548 -2.411 2.712 0.00 0.00 +0.002 C ATOM 16 O LIG 1 5.271 -1.097 -0.882 0.00 0.00 -0.373 OA ATOM 17 C LIG 1 4.656 0.053 -1.456 0.00 0.00 +0.179 C ATOM 18 C LIG 1 2.703 -1.368 1.993 0.00 0.00 +0.025 C ATOM 19 C LIG 1 3.150 -0.168 -1.563 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 20 ATOM 20 C LIG 1 -0.995 5.352 2.163 0.00 0.00 +0.287 A ATOM 21 O LIG 1 -2.166 5.973 1.864 0.00 0.00 -0.385 OA ATOM 22 C LIG 1 -2.211 7.022 2.727 0.00 0.00 +0.436 A ATOM 23 O LIG 1 -3.102 7.848 2.800 0.00 0.00 -0.221 OA ATOM 24 N LIG 1 -1.071 6.953 3.477 0.00 0.00 -0.208 N ATOM 25 H LIG 1 -0.811 7.597 4.212 0.00 0.00 +0.195 HD ATOM 26 N LIG 1 -0.299 5.894 3.120 0.00 0.00 -0.127 NA ENDBRANCH 5 20 BRANCH 8 27 ATOM 27 C LIG 1 -2.320 2.445 -1.400 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -2.000 2.547 -2.761 0.00 0.00 +0.033 A ATOM 29 C LIG 1 -2.967 2.271 -3.724 0.00 0.00 +0.060 A ATOM 30 CL LIG 1 -2.581 2.366 -5.393 0.00 0.00 -0.082 Cl ATOM 31 C LIG 1 -4.236 1.910 -3.305 0.00 0.00 +0.130 A ATOM 32 N LIG 1 -4.595 1.815 -2.004 0.00 0.00 -0.261 NA ATOM 33 C LIG 1 -3.637 2.104 -1.088 0.00 0.00 +0.120 A ENDBRANCH 8 27 BRANCH 1 34 ATOM 34 C LIG 1 -0.203 -0.171 -1.418 0.00 0.00 +0.128 C BRANCH 34 39 ATOM 35 C LIG 1 -3.955 -4.284 0.404 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -2.780 -3.505 -0.184 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -2.058 -2.708 0.909 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.908 -1.878 0.341 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -1.375 -0.950 -0.791 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -2.101 -1.754 -1.880 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -3.254 -2.576 -1.308 0.00 0.00 +0.003 C ENDBRANCH 34 39 ENDBRANCH 1 34 TORSDOF 5