REMARK Name = BDB049598 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.905 -1.702 -0.392 0.00 0.00 +0.052 A ATOM 2 C LIG 1 1.491 -2.758 -1.261 0.00 0.00 +0.030 A ATOM 3 C LIG 1 0.309 -2.357 -1.870 0.00 0.00 +0.142 A ATOM 4 N LIG 1 -0.401 -3.045 -2.790 0.00 0.00 -0.237 NA ATOM 5 C LIG 1 0.141 -4.244 -3.099 0.00 0.00 +0.113 A ATOM 6 C LIG 1 1.308 -4.767 -2.561 0.00 0.00 +0.020 A ATOM 7 N LIG 1 -0.032 -1.126 -1.363 0.00 0.00 -0.324 N ATOM 8 C LIG 1 2.010 -4.015 -1.622 0.00 0.00 +0.014 A ATOM 9 C LIG 1 0.921 -0.712 -0.445 0.00 0.00 +0.029 A ATOM 10 C LIG 1 0.792 0.564 0.318 0.00 0.00 +0.064 C ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 3.119 -1.710 0.422 0.00 0.00 +0.195 C ATOM 12 O LIG 1 3.462 -2.702 1.060 0.00 0.00 -0.287 OA BRANCH 11 16 ATOM 13 C LIG 1 5.686 1.736 0.560 0.00 0.00 +0.120 A ATOM 14 C LIG 1 5.586 0.867 1.651 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.750 -0.251 1.598 0.00 0.00 +0.015 A ATOM 16 C LIG 1 3.992 -0.503 0.450 0.00 0.00 +0.023 A ATOM 17 C LIG 1 4.104 0.355 -0.652 0.00 0.00 +0.015 A ATOM 18 C LIG 1 4.945 1.473 -0.593 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 6.697 3.691 -0.341 0.00 0.00 +0.277 C ATOM 20 O LIG 1 6.538 2.788 0.746 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 7 21 ATOM 21 C LIG 1 -1.208 -0.377 -1.802 0.00 0.00 +0.158 C BRANCH 21 22 ATOM 22 C LIG 1 -2.375 -0.504 -0.851 0.00 0.00 -0.024 A ATOM 23 C LIG 1 -2.949 0.641 -0.274 0.00 0.00 +0.051 A ATOM 24 C LIG 1 -4.042 0.548 0.597 0.00 0.00 +0.122 A ATOM 25 C LIG 1 -4.580 -0.705 0.883 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -4.029 -1.851 0.305 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -2.938 -1.752 -0.558 0.00 0.00 +0.005 A BRANCH 24 28 ATOM 28 O LIG 1 -4.477 1.750 1.083 0.00 0.00 -0.478 OA BRANCH 28 29 ATOM 29 C LIG 1 -5.572 1.768 2.014 0.00 0.00 +0.278 C ATOM 30 C LIG 1 -6.897 1.791 1.265 0.00 0.00 +0.064 C BRANCH 29 31 ATOM 31 C LIG 1 -5.443 3.052 2.836 0.00 0.00 +0.346 C ATOM 32 O LIG 1 -6.258 3.426 3.667 0.00 0.00 -0.247 OA BRANCH 31 33 ATOM 33 O LIG 1 -4.314 3.753 2.563 0.00 0.00 -0.478 OA ATOM 34 H LIG 1 -3.808 3.287 1.862 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 9