REMARK Name = BDB017450 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.394 -1.343 -0.633 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -0.782 -0.661 -0.180 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.845 -1.391 -0.692 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -3.187 -1.059 -0.465 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -3.481 0.086 0.300 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -2.409 0.833 0.817 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -1.272 -2.402 -1.408 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -1.744 -3.127 -1.935 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -1.069 0.484 0.586 0.00 0.00 +0.012 A ATOM 10 N LIG 1 0.069 -2.401 -1.398 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -4.914 0.464 0.597 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -5.898 0.829 -0.496 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -7.313 0.322 -0.462 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -7.710 0.071 -1.784 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -8.956 -0.407 -2.121 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -9.846 -0.646 -1.073 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -9.483 -0.405 0.268 0.00 0.00 +0.120 A ATOM 18 N LIG 1 -6.666 0.392 -2.652 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -6.701 0.341 -3.658 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -8.207 0.084 0.576 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -5.562 0.877 -1.970 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -4.527 1.295 -2.461 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -5.390 1.894 0.433 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 -10.469 -0.688 1.175 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 -10.168 -0.464 2.547 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 29 ATOM 26 C LIG 1 4.541 -0.379 0.121 0.00 0.00 +0.030 A ATOM 27 C LIG 1 4.095 -0.822 -1.133 0.00 0.00 +0.024 A ATOM 28 C LIG 1 2.751 -1.138 -1.378 0.00 0.00 +0.012 A ATOM 29 C LIG 1 1.795 -1.016 -0.368 0.00 0.00 +0.003 A ATOM 30 C LIG 1 2.217 -0.592 0.892 0.00 0.00 +0.012 A ATOM 31 C LIG 1 3.565 -0.277 1.125 0.00 0.00 +0.024 A BRANCH 26 35 ATOM 32 N LIG 1 8.745 0.600 0.920 0.00 0.00 -0.300 NA ATOM 33 C LIG 1 7.604 1.508 1.174 0.00 0.00 +0.103 C ATOM 34 C LIG 1 6.276 0.783 1.489 0.00 0.00 +0.120 C ATOM 35 N LIG 1 5.868 -0.065 0.358 0.00 0.00 -0.327 N ATOM 36 C LIG 1 6.948 -0.554 -0.512 0.00 0.00 +0.120 C ATOM 37 C LIG 1 8.293 -0.641 0.252 0.00 0.00 +0.103 C BRANCH 32 39 ATOM 38 C LIG 1 11.150 0.594 0.300 0.00 0.00 +0.020 C ATOM 39 C LIG 1 9.804 1.302 0.186 0.00 0.00 +0.081 C ENDBRANCH 32 39 ENDBRANCH 26 35 ENDBRANCH 1 29 TORSDOF 5