REMARK Name = BDB045266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.459 -1.790 -2.051 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.595 -0.956 -1.653 0.00 0.00 -0.295 N ATOM 3 O LIG 1 0.348 -3.003 -2.216 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 4 C LIG 1 3.783 -0.135 -1.418 0.00 0.00 +0.163 A ATOM 5 C LIG 1 4.374 -0.189 -2.694 0.00 0.00 +0.162 A ATOM 6 C LIG 1 3.674 -0.807 -3.739 0.00 0.00 +0.050 A ATOM 7 C LIG 1 2.394 -1.328 -3.524 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.800 -1.213 -2.267 0.00 0.00 +0.041 A ATOM 9 C LIG 1 2.494 -0.631 -1.207 0.00 0.00 +0.062 A BRANCH 5 10 ATOM 10 O LIG 1 5.612 0.381 -2.829 0.00 0.00 -0.491 OA ATOM 11 C LIG 1 6.147 0.491 -4.141 0.00 0.00 +0.277 C ENDBRANCH 5 10 BRANCH 4 12 ATOM 12 O LIG 1 4.364 0.451 -0.321 0.00 0.00 -0.488 OA BRANCH 12 13 ATOM 13 C LIG 1 5.643 -0.103 0.005 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 5.863 0.017 1.510 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 5.863 1.472 1.974 0.00 0.00 +0.163 C BRANCH 15 17 ATOM 16 C LIG 1 7.469 1.537 3.728 0.00 0.00 +0.193 C ATOM 17 O LIG 1 6.090 1.558 3.383 0.00 0.00 -0.383 OA ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 4 12 ENDBRANCH 1 8 BRANCH 2 18 ATOM 18 C LIG 1 -0.571 0.518 -1.826 0.00 0.00 +0.070 C ATOM 19 C LIG 1 -1.277 1.273 -0.699 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -1.132 0.916 -3.195 0.00 0.00 +0.028 C ENDBRANCH 2 18 BRANCH 2 21 ATOM 21 C LIG 1 -1.892 -1.607 -1.396 0.00 0.00 +0.115 C BRANCH 21 22 ATOM 22 C LIG 1 -2.075 -2.000 0.074 0.00 0.00 +0.042 C ATOM 23 C LIG 1 -3.513 -2.462 0.386 0.00 0.00 +0.092 C ATOM 24 C LIG 1 -3.337 -3.803 1.114 0.00 0.00 +0.103 C ATOM 25 N LIG 1 -1.964 -3.759 1.626 0.00 0.00 -0.314 NA ATOM 26 H LIG 1 -1.626 -4.701 1.819 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -1.206 -3.178 0.509 0.00 0.00 +0.088 C BRANCH 23 28 ATOM 28 N LIG 1 -4.187 -1.489 1.240 0.00 0.00 -0.311 N ATOM 29 H LIG 1 -3.906 -1.480 2.214 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 -4.806 -0.372 0.720 0.00 0.00 +0.216 C ATOM 31 O LIG 1 -4.954 -0.198 -0.485 0.00 0.00 -0.276 OA BRANCH 30 32 ATOM 32 C LIG 1 -5.278 0.617 1.786 0.00 0.00 +0.075 C ATOM 33 C LIG 1 -4.078 1.293 2.482 0.00 0.00 +0.013 C ATOM 34 C LIG 1 -3.864 2.727 2.010 0.00 0.00 +0.001 C ATOM 35 C LIG 1 -5.092 3.602 2.264 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -6.415 2.852 2.108 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -6.275 1.633 1.204 0.00 0.00 +0.013 C ENDBRANCH 30 32 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 12