REMARK Name = BDB044766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.066 -0.048 -0.891 0.00 0.00 +0.243 C ATOM 2 N LIG 1 -1.409 -0.021 -1.183 0.00 0.00 -0.307 N ATOM 3 H LIG 1 -1.714 -0.140 -2.144 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.392 0.383 0.171 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.405 0.580 -0.282 0.00 0.00 +0.113 C BRANCH 5 6 ATOM 6 C LIG 1 -3.771 -0.097 -0.529 0.00 0.00 +0.243 C BRANCH 6 7 ATOM 7 O LIG 1 -4.007 -0.157 -1.945 0.00 0.00 -0.379 OA ATOM 8 H LIG 1 -4.693 -0.840 -2.074 0.00 0.00 +0.211 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 -3.800 -1.463 0.172 0.00 0.00 +0.338 C ATOM 10 O LIG 1 -3.524 -1.650 1.349 0.00 0.00 -0.248 OA BRANCH 9 11 ATOM 11 O LIG 1 -4.228 -2.426 -0.698 0.00 0.00 -0.460 OA BRANCH 11 12 ATOM 12 C LIG 1 -4.287 -3.767 -0.173 0.00 0.00 +0.170 C ATOM 13 C LIG 1 -4.115 -4.718 -1.351 0.00 0.00 +0.052 C ATOM 14 C LIG 1 -5.632 -3.985 0.509 0.00 0.00 +0.052 C ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 6 9 ENDBRANCH 5 6 BRANCH 5 15 ATOM 15 C LIG 1 -2.452 2.108 -0.530 0.00 0.00 +0.029 C BRANCH 15 16 ATOM 16 C LIG 1 -2.598 2.948 0.760 0.00 0.00 -0.009 C ATOM 17 C LIG 1 -3.915 2.660 1.504 0.00 0.00 +0.003 C ATOM 18 C LIG 1 -4.272 3.785 2.467 0.00 0.00 +0.000 C ATOM 19 C LIG 1 -4.508 5.103 1.728 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -3.746 5.202 0.406 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -2.420 4.454 0.461 0.00 0.00 +0.003 C ENDBRANCH 15 16 ENDBRANCH 5 15 ENDBRANCH 2 5 BRANCH 1 22 ATOM 22 C LIG 1 0.840 -0.612 -2.009 0.00 0.00 +0.213 C BRANCH 22 23 ATOM 23 O LIG 1 2.182 -0.683 -1.558 0.00 0.00 -0.295 OA BRANCH 23 24 ATOM 24 P LIG 1 3.092 0.643 -1.617 0.00 0.00 +0.331 P ATOM 25 O LIG 1 3.679 0.897 -2.968 0.00 0.00 -0.259 OA BRANCH 24 26 ATOM 26 O LIG 1 2.093 1.803 -1.129 0.00 0.00 -0.324 OA ATOM 27 H LIG 1 1.727 1.651 -0.227 0.00 0.00 +0.220 HD ENDBRANCH 24 26 BRANCH 24 28 ATOM 28 C LIG 1 4.251 0.445 -0.273 0.00 0.00 +0.127 C BRANCH 28 29 ATOM 29 C LIG 1 5.263 -0.671 -0.519 0.00 0.00 +0.017 C BRANCH 29 30 ATOM 30 C LIG 1 6.178 -0.934 0.679 0.00 0.00 +0.036 C BRANCH 30 31 ATOM 31 C LIG 1 7.067 0.232 1.036 0.00 0.00 -0.047 A ATOM 32 C LIG 1 6.873 0.933 2.234 0.00 0.00 +0.003 A ATOM 33 C LIG 1 7.689 2.017 2.560 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.707 2.411 1.693 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.911 1.719 0.501 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.097 0.634 0.174 0.00 0.00 +0.003 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 23 24 ENDBRANCH 22 23 BRANCH 22 37 ATOM 37 C LIG 1 0.415 -1.995 -2.523 0.00 0.00 +0.041 C BRANCH 37 38 ATOM 38 C LIG 1 0.708 -3.188 -1.602 0.00 0.00 +0.003 C BRANCH 38 40 ATOM 39 C LIG 1 0.029 -4.531 0.420 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -0.136 -3.217 -0.329 0.00 0.00 -0.003 C ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 22 37 ENDBRANCH 1 22 TORSDOF 19