REMARK Name = BDB059869 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.560 1.682 -1.159 0.00 0.00 +0.060 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.353 1.753 -0.218 0.00 0.00 -0.039 A ATOM 3 C LIG 1 -0.965 1.486 -0.613 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -2.036 1.560 0.298 0.00 0.00 -0.027 A ATOM 5 C LIG 1 -3.438 1.244 -0.193 0.00 0.00 +0.143 C ATOM 6 N LIG 1 -4.422 1.183 0.890 0.00 0.00 -0.293 N ATOM 7 C LIG 1 -4.262 2.204 1.917 0.00 0.00 +0.113 C ATOM 8 C LIG 1 -2.921 2.030 2.626 0.00 0.00 +0.054 C ATOM 9 C LIG 1 -5.191 0.060 1.185 0.00 0.00 +0.247 C ATOM 10 O LIG 1 -5.697 -0.142 2.288 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -1.790 1.951 1.627 0.00 0.00 -0.041 A ATOM 12 C LIG 1 -0.481 2.219 2.033 0.00 0.00 +0.004 A ATOM 13 C LIG 1 0.572 2.125 1.122 0.00 0.00 +0.004 A BRANCH 9 14 ATOM 14 C LIG 1 -5.445 -0.937 0.120 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -5.228 -2.290 0.398 0.00 0.00 +0.013 A ATOM 16 C LIG 1 -5.480 -3.247 -0.586 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -5.959 -2.852 -1.836 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.199 -1.503 -2.104 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.951 -0.542 -1.124 0.00 0.00 +0.013 A ENDBRANCH 9 14 ENDBRANCH 1 2 BRANCH 1 24 ATOM 20 N LIG 1 5.637 -1.919 0.369 0.00 0.00 -0.244 N ATOM 21 C LIG 1 4.480 -1.254 0.060 0.00 0.00 +0.089 A ATOM 22 C LIG 1 4.930 0.005 -0.315 0.00 0.00 +0.116 A ATOM 23 C LIG 1 4.018 1.010 -0.712 0.00 0.00 -0.017 A ATOM 24 C LIG 1 2.632 0.676 -0.706 0.00 0.00 -0.034 A ATOM 25 C LIG 1 2.225 -0.620 -0.314 0.00 0.00 +0.007 A ATOM 26 C LIG 1 4.513 2.377 -1.096 0.00 0.00 +0.046 C ATOM 27 N LIG 1 6.299 0.041 -0.227 0.00 0.00 -0.129 NA ATOM 28 C LIG 1 3.133 -1.608 0.077 0.00 0.00 +0.030 A ATOM 29 N LIG 1 6.722 -1.144 0.190 0.00 0.00 -0.065 NA BRANCH 20 31 ATOM 30 C LIG 1 5.723 -3.383 2.345 0.00 0.00 +0.029 C ATOM 31 C LIG 1 5.791 -3.280 0.831 0.00 0.00 +0.142 C ENDBRANCH 20 31 ENDBRANCH 1 24 BRANCH 1 32 ATOM 32 C LIG 1 1.301 1.576 -2.675 0.00 0.00 +0.133 C BRANCH 32 33 ATOM 33 C LIG 1 0.882 0.220 -3.194 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -0.279 -0.103 -3.394 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 1.909 -0.613 -3.466 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 2.789 -0.274 -3.211 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 7