REMARK Name = BDB015196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.847 -0.197 -2.867 0.00 0.00 +0.023 A ATOM 2 C LIG 1 -0.840 0.326 -1.557 0.00 0.00 +0.057 A ATOM 3 C LIG 1 0.329 0.805 -0.950 0.00 0.00 +0.121 A ATOM 4 C LIG 1 1.524 0.781 -1.663 0.00 0.00 +0.046 A ATOM 5 C LIG 1 1.550 0.277 -2.964 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.380 -0.206 -3.557 0.00 0.00 +0.012 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 -5.509 -1.408 -2.802 0.00 0.00 -0.323 N ATOM 8 C LIG 1 -4.261 -1.243 -3.348 0.00 0.00 +0.145 A ATOM 9 C LIG 1 -4.330 -1.616 -4.681 0.00 0.00 +0.037 A ATOM 10 C LIG 1 -3.150 -1.507 -5.407 0.00 0.00 +0.124 A ATOM 11 N LIG 1 -2.028 -1.054 -4.799 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 -2.090 -0.709 -3.488 0.00 0.00 +0.162 A ATOM 13 C LIG 1 -5.665 -2.027 -4.934 0.00 0.00 +0.031 A ATOM 14 N LIG 1 -3.178 -0.795 -2.695 0.00 0.00 -0.210 NA ATOM 15 C LIG 1 -6.372 -1.893 -3.755 0.00 0.00 +0.089 A BRANCH 7 16 ATOM 16 C LIG 1 -5.829 -1.129 -1.413 0.00 0.00 +0.219 C BRANCH 16 18 ATOM 17 O LIG 1 -6.488 1.125 -1.944 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 -5.936 0.363 -1.145 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -5.432 0.827 0.054 0.00 0.00 -0.300 N ATOM 20 C LIG 1 -4.859 0.044 1.137 0.00 0.00 +0.108 C ATOM 21 C LIG 1 -4.488 1.065 2.207 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -5.448 2.217 1.942 0.00 0.00 +0.020 C ATOM 23 C LIG 1 -5.563 2.224 0.426 0.00 0.00 +0.108 C ENDBRANCH 16 18 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 24 ATOM 24 O LIG 1 0.156 1.266 0.327 0.00 0.00 -0.489 OA BRANCH 24 25 ATOM 25 C LIG 1 1.321 1.615 1.090 0.00 0.00 +0.261 C BRANCH 25 26 ATOM 26 C LIG 1 1.936 0.354 1.716 0.00 0.00 +0.166 C BRANCH 26 27 ATOM 27 O LIG 1 0.978 -0.224 2.619 0.00 0.00 -0.387 OA ATOM 28 H LIG 1 0.149 -0.300 2.104 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 3.228 0.660 2.498 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 4.311 1.231 1.675 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 4.949 0.234 0.794 0.00 0.00 +0.120 C ATOM 32 C LIG 1 5.894 -0.727 1.487 0.00 0.00 -0.030 A ATOM 33 C LIG 1 6.493 -0.391 2.713 0.00 0.00 -0.042 A ATOM 34 C LIG 1 7.394 -1.282 3.314 0.00 0.00 +0.004 A ATOM 35 C LIG 1 7.718 -2.485 2.688 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.141 -2.812 1.464 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.124 0.893 3.412 0.00 0.00 +0.051 C ATOM 38 C LIG 1 6.235 -1.937 0.866 0.00 0.00 +0.005 A ATOM 39 C LIG 1 5.353 1.863 2.504 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 9