REMARK Name = BDB008673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.253 -0.483 0.791 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.194 -0.220 -0.073 0.00 0.00 -0.314 N ATOM 3 C LIG 1 -0.951 -0.772 0.474 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.500 -1.417 1.609 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.272 -2.144 2.431 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.549 -2.182 2.005 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -3.080 -1.586 0.920 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -2.299 -0.837 0.123 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.833 -1.235 1.799 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 4.984 -0.171 1.230 0.00 0.00 -0.041 A ATOM 11 C LIG 1 3.671 -0.643 1.358 0.00 0.00 +0.035 A ATOM 12 C LIG 1 2.645 -0.027 0.645 0.00 0.00 +0.107 A ATOM 13 N LIG 1 2.857 1.032 -0.169 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 4.127 1.477 -0.282 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.206 0.917 0.383 0.00 0.00 +0.023 A BRANCH 10 16 ATOM 16 C LIG 1 6.112 -0.837 2.001 0.00 0.00 +0.016 C ATOM 17 C LIG 1 6.769 0.155 2.966 0.00 0.00 +0.012 C BRANCH 16 19 ATOM 18 C LIG 1 8.162 -2.349 1.735 0.00 0.00 +0.004 C ATOM 19 C LIG 1 7.124 -1.484 1.033 0.00 0.00 +0.004 C ENDBRANCH 16 19 ENDBRANCH 10 16 ENDBRANCH 1 12 BRANCH 6 20 ATOM 20 C LIG 1 -3.470 -2.990 2.880 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -4.665 -3.160 2.704 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -2.791 -3.529 3.933 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -1.841 -3.267 3.890 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.818 -0.171 -0.974 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.431 0.767 -1.038 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.256 -0.175 -1.284 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -5.082 0.512 -0.201 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -4.779 -1.551 -1.716 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -5.415 -2.576 -0.729 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.364 -2.982 -1.874 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -6.151 -1.570 -2.454 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.288 0.354 -1.413 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -0.190 1.788 -1.510 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.821 2.212 -2.691 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -1.271 3.528 -2.832 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -1.081 4.460 -1.803 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.434 4.046 -0.631 0.00 0.00 +0.013 A ATOM 38 C LIG 1 0.013 2.729 -0.490 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -1.579 5.875 -1.963 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -1.194 6.435 -3.144 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.938 5.950 -1.939 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.140 6.722 -0.990 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 11