REMARK Name = BDB021553 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.412 -1.397 0.202 0.00 0.00 +0.218 A ATOM 2 N LIG 1 3.305 -0.082 -0.101 0.00 0.00 -0.177 NA ATOM 3 C LIG 1 2.148 0.525 0.246 0.00 0.00 +0.231 A ATOM 4 O LIG 1 2.138 1.874 0.029 0.00 0.00 -0.468 OA ATOM 5 C LIG 1 1.246 2.311 -1.017 0.00 0.00 +0.122 C ATOM 6 C LIG 1 -0.153 1.643 -0.986 0.00 0.00 +0.155 C ATOM 7 N LIG 1 -0.679 1.510 0.376 0.00 0.00 -0.291 N ATOM 8 C LIG 1 -0.153 0.567 1.260 0.00 0.00 +0.252 C ATOM 9 O LIG 1 -0.717 0.240 2.300 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.092 3.827 -0.791 0.00 0.00 +0.057 C ATOM 11 C LIG 1 1.910 2.086 -2.384 0.00 0.00 +0.057 C ATOM 12 C LIG 1 1.097 -0.124 0.885 0.00 0.00 +0.099 A ATOM 13 C LIG 1 1.240 -1.482 1.178 0.00 0.00 +0.023 A ATOM 14 C LIG 1 2.413 -2.135 0.815 0.00 0.00 +0.068 A ENDROOT BRANCH 1 15 ATOM 15 O LIG 1 4.555 -2.083 -0.146 0.00 0.00 -0.473 OA BRANCH 15 20 ATOM 16 C LIG 1 9.693 0.077 -0.629 0.00 0.00 +0.104 C ATOM 17 N LIG 1 8.324 -0.353 -0.362 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 7.421 0.018 -1.464 0.00 0.00 +0.087 C ATOM 19 C LIG 1 6.131 -0.808 -1.508 0.00 0.00 +0.060 C ATOM 20 C LIG 1 5.746 -1.276 -0.106 0.00 0.00 +0.178 C ATOM 21 C LIG 1 6.866 -2.153 0.474 0.00 0.00 +0.060 C ATOM 22 C LIG 1 8.254 -1.781 -0.053 0.00 0.00 +0.087 C ENDBRANCH 15 20 ENDBRANCH 1 15 BRANCH 7 23 ATOM 23 C LIG 1 -2.023 2.028 0.646 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -3.125 1.013 0.289 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -3.223 0.873 -1.140 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -4.104 0.472 -1.286 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.493 1.477 0.834 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.592 0.565 0.423 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.490 -0.735 1.128 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.699 -1.635 0.959 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -7.938 -1.117 0.547 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -9.047 -1.968 0.433 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.933 -3.321 0.746 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.710 -3.835 1.171 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.054 0.338 0.178 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -6.601 -2.996 1.283 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.895 1.180 0.736 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 7