REMARK Name = BDB012735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.440 -2.557 -0.265 0.00 0.00 +0.192 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.852 -2.959 -1.139 0.00 0.00 +0.012 C ATOM 3 C LIG 1 -0.680 -2.303 -1.236 0.00 0.00 -0.032 C BRANCH 3 4 ATOM 4 C LIG 1 -0.365 -1.303 -2.328 0.00 0.00 +0.157 C BRANCH 4 5 ATOM 5 N LIG 1 -1.420 -0.335 -2.570 0.00 0.00 -0.311 N ATOM 6 C LIG 1 -1.672 0.800 -1.852 0.00 0.00 +0.169 A ATOM 7 C LIG 1 -2.767 1.367 -2.466 0.00 0.00 +0.172 A ATOM 8 C LIG 1 -3.308 2.579 -1.893 0.00 0.00 +0.280 A ATOM 9 N LIG 1 -2.626 2.965 -0.748 0.00 0.00 -0.293 N ATOM 10 H LIG 1 -2.950 3.819 -0.327 0.00 0.00 +0.172 HD ATOM 11 C LIG 1 -1.529 2.310 -0.226 0.00 0.00 +0.195 A ATOM 12 O LIG 1 -4.258 3.221 -2.331 0.00 0.00 -0.265 OA ATOM 13 N LIG 1 -3.167 0.639 -3.558 0.00 0.00 -0.229 NA ATOM 14 N LIG 1 -0.996 1.240 -0.761 0.00 0.00 -0.196 NA ATOM 15 C LIG 1 -2.326 -0.374 -3.601 0.00 0.00 +0.202 A BRANCH 11 16 ATOM 16 N LIG 1 -1.003 2.843 0.905 0.00 0.00 -0.329 N ATOM 17 H LIG 1 -0.464 2.155 1.450 0.00 0.00 +0.145 HD ATOM 18 H LIG 1 -1.655 3.307 1.524 0.00 0.00 +0.145 HD ENDBRANCH 11 16 ENDBRANCH 4 5 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 O LIG 1 0.578 -1.422 0.589 0.00 0.00 -0.363 OA BRANCH 19 20 ATOM 20 C LIG 1 0.221 -1.726 1.942 0.00 0.00 +0.287 C BRANCH 20 21 ATOM 21 P LIG 1 0.636 -0.327 2.985 0.00 0.00 +0.364 P ATOM 22 O LIG 1 -0.004 0.995 2.675 0.00 0.00 -0.256 OA BRANCH 21 23 ATOM 23 O LIG 1 0.228 -0.802 4.471 0.00 0.00 -0.322 OA ATOM 24 H LIG 1 0.313 -0.078 5.122 0.00 0.00 +0.220 HD ENDBRANCH 21 23 BRANCH 21 25 ATOM 25 O LIG 1 2.225 -0.271 3.114 0.00 0.00 -0.206 OA BRANCH 25 26 ATOM 26 P LIG 1 3.240 -0.081 1.897 0.00 0.00 +0.490 P ATOM 27 O LIG 1 4.596 0.399 2.294 0.00 0.00 -0.227 OA BRANCH 26 28 ATOM 28 O LIG 1 3.273 -1.541 1.242 0.00 0.00 -0.302 OA ATOM 29 H LIG 1 3.919 -1.606 0.509 0.00 0.00 +0.222 HD ENDBRANCH 26 28 BRANCH 26 30 ATOM 30 O LIG 1 2.449 0.837 0.877 0.00 0.00 -0.186 OA BRANCH 30 31 ATOM 31 P LIG 1 2.807 0.983 -0.652 0.00 0.00 +0.481 P ATOM 32 O LIG 1 3.022 -0.279 -1.416 0.00 0.00 -0.227 OA BRANCH 31 33 ATOM 33 O LIG 1 1.665 1.934 -1.224 0.00 0.00 -0.302 OA ATOM 34 H LIG 1 0.764 1.537 -1.156 0.00 0.00 +0.222 HD ENDBRANCH 31 33 BRANCH 31 35 ATOM 35 O LIG 1 4.030 2.005 -0.667 0.00 0.00 -0.302 OA ATOM 36 H LIG 1 3.727 2.914 -0.493 0.00 0.00 +0.222 HD ENDBRANCH 31 35 ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 15