REMARK Name = BDB012737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.143 1.569 1.464 0.00 0.00 -0.366 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.718 2.756 0.912 0.00 0.00 +0.185 C BRANCH 2 4 ATOM 3 C LIG 1 -2.414 3.737 -0.689 0.00 0.00 +0.033 C ATOM 4 C LIG 1 -1.709 2.461 -0.231 0.00 0.00 +0.113 C BRANCH 4 5 ATOM 5 N LIG 1 -1.038 1.768 -1.326 0.00 0.00 -0.310 N ATOM 6 C LIG 1 -0.977 0.413 -1.488 0.00 0.00 +0.169 A ATOM 7 C LIG 1 -0.118 0.218 -2.543 0.00 0.00 +0.172 A ATOM 8 C LIG 1 0.213 -1.145 -2.899 0.00 0.00 +0.280 A ATOM 9 N LIG 1 -0.431 -2.066 -2.087 0.00 0.00 -0.293 N ATOM 10 H LIG 1 -0.239 -3.038 -2.261 0.00 0.00 +0.172 HD ATOM 11 C LIG 1 -1.262 -1.740 -1.039 0.00 0.00 +0.195 A ATOM 12 O LIG 1 1.002 -1.484 -3.778 0.00 0.00 -0.265 OA ATOM 13 N LIG 1 0.319 1.411 -3.062 0.00 0.00 -0.229 NA ATOM 14 N LIG 1 -1.579 -0.517 -0.713 0.00 0.00 -0.196 NA ATOM 15 C LIG 1 -0.262 2.324 -2.309 0.00 0.00 +0.202 A BRANCH 11 16 ATOM 16 N LIG 1 -1.724 -2.794 -0.319 0.00 0.00 -0.329 N ATOM 17 H LIG 1 -2.171 -2.467 0.540 0.00 0.00 +0.145 HD ATOM 18 H LIG 1 -0.961 -3.409 -0.031 0.00 0.00 +0.145 HD ENDBRANCH 11 16 ENDBRANCH 4 5 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.969 0.933 2.448 0.00 0.00 +0.286 C BRANCH 19 20 ATOM 20 P LIG 1 -0.491 -0.791 2.634 0.00 0.00 +0.364 P ATOM 21 O LIG 1 -1.548 -1.820 2.356 0.00 0.00 -0.256 OA BRANCH 20 22 ATOM 22 O LIG 1 0.008 -0.895 4.167 0.00 0.00 -0.322 OA ATOM 23 H LIG 1 0.266 -1.812 4.396 0.00 0.00 +0.220 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 O LIG 1 0.879 -0.999 1.855 0.00 0.00 -0.206 OA BRANCH 24 25 ATOM 25 P LIG 1 1.575 -2.391 1.564 0.00 0.00 +0.490 P ATOM 26 O LIG 1 0.873 -3.354 0.658 0.00 0.00 -0.227 OA BRANCH 25 27 ATOM 27 O LIG 1 1.716 -3.023 3.041 0.00 0.00 -0.302 OA ATOM 28 H LIG 1 2.030 -3.947 2.973 0.00 0.00 +0.222 HD ENDBRANCH 25 27 BRANCH 25 29 ATOM 29 O LIG 1 3.086 -2.076 1.210 0.00 0.00 -0.186 OA BRANCH 29 30 ATOM 30 P LIG 1 3.566 -1.170 0.007 0.00 0.00 +0.481 P ATOM 31 O LIG 1 4.986 -1.348 -0.411 0.00 0.00 -0.227 OA BRANCH 30 32 ATOM 32 O LIG 1 3.240 0.334 0.409 0.00 0.00 -0.302 OA ATOM 33 H LIG 1 3.781 0.976 -0.090 0.00 0.00 +0.222 HD ENDBRANCH 30 32 BRANCH 30 34 ATOM 34 O LIG 1 2.562 -1.453 -1.190 0.00 0.00 -0.302 OA ATOM 35 H LIG 1 3.023 -1.659 -2.030 0.00 0.00 +0.222 HD ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 14