REMARK Name = BDB026426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.270 2.205 -0.317 0.00 0.00 +0.142 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 -2.683 -0.450 0.303 0.00 0.00 -0.280 N ATOM 3 C LIG 1 -1.806 0.226 -0.541 0.00 0.00 +0.305 C ATOM 4 O LIG 1 -1.496 -0.092 -1.677 0.00 0.00 -0.252 OA ATOM 5 N LIG 1 -1.328 1.332 0.159 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -1.790 1.318 1.530 0.00 0.00 +0.128 C ATOM 7 C LIG 1 -2.936 0.315 1.504 0.00 0.00 +0.128 C BRANCH 2 8 ATOM 8 C LIG 1 -3.530 -1.543 -0.133 0.00 0.00 +0.144 C BRANCH 8 11 ATOM 9 C LIG 1 -5.961 -2.089 1.598 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -6.055 -1.333 0.301 0.00 0.00 -0.046 A ATOM 11 C LIG 1 -4.925 -1.091 -0.509 0.00 0.00 -0.027 A ATOM 12 C LIG 1 -5.091 -0.382 -1.715 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -6.345 0.073 -2.116 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -7.457 -0.171 -1.319 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -7.314 -0.870 -0.120 0.00 0.00 +0.003 A ENDBRANCH 8 11 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 16 ATOM 16 C LIG 1 1.147 1.799 0.134 0.00 0.00 +0.146 C BRANCH 16 17 ATOM 17 O LIG 1 2.010 2.917 -0.108 0.00 0.00 -0.389 OA ATOM 18 H LIG 1 2.869 2.697 0.291 0.00 0.00 +0.210 HD ENDBRANCH 16 17 BRANCH 16 19 ATOM 19 C LIG 1 1.649 0.531 -0.603 0.00 0.00 +0.117 C BRANCH 19 20 ATOM 20 N LIG 1 3.003 0.029 -0.300 0.00 0.00 -0.295 NA ATOM 21 C LIG 1 4.053 0.624 -1.134 0.00 0.00 +0.120 C ATOM 22 C LIG 1 5.454 0.160 -0.784 0.00 0.00 -0.030 A ATOM 23 C LIG 1 5.721 -0.527 0.413 0.00 0.00 -0.042 A ATOM 24 C LIG 1 7.031 -0.925 0.712 0.00 0.00 +0.004 A ATOM 25 C LIG 1 8.076 -0.620 -0.160 0.00 0.00 +0.000 A ATOM 26 C LIG 1 7.820 0.077 -1.338 0.00 0.00 +0.000 A ATOM 27 C LIG 1 4.589 -0.891 1.338 0.00 0.00 +0.051 C ATOM 28 C LIG 1 6.517 0.466 -1.649 0.00 0.00 +0.005 A ATOM 29 C LIG 1 3.351 -0.013 1.116 0.00 0.00 +0.089 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 TORSDOF 7