REMARK Name = BDB053307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.886 -0.449 1.687 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.276 -0.409 2.421 0.00 0.00 -0.300 N ATOM 3 H LIG 1 -0.320 0.076 3.313 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.965 -1.117 0.655 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 2.087 0.321 2.296 0.00 0.00 +0.156 C ATOM 6 C LIG 1 1.737 1.719 2.797 0.00 0.00 +0.038 C BRANCH 5 8 ATOM 7 C LIG 1 3.183 1.035 0.177 0.00 0.00 +0.236 C ATOM 8 N LIG 1 3.198 0.303 1.350 0.00 0.00 -0.303 N ATOM 9 H LIG 1 3.711 -0.580 1.292 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 2.405 1.961 -0.038 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 4.202 0.545 -0.869 0.00 0.00 +0.185 C BRANCH 11 14 ATOM 12 C LIG 1 3.307 -3.121 -1.393 0.00 0.00 +0.109 C ATOM 13 C LIG 1 3.932 -1.919 -0.740 0.00 0.00 +0.211 C ATOM 14 N LIG 1 3.736 -0.739 -1.413 0.00 0.00 -0.302 N ATOM 15 H LIG 1 2.958 -0.706 -2.062 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 4.531 -1.984 0.331 0.00 0.00 -0.276 OA ENDBRANCH 11 14 BRANCH 11 17 ATOM 17 C LIG 1 4.339 1.591 -1.983 0.00 0.00 +0.204 C BRANCH 17 18 ATOM 18 O LIG 1 5.376 1.229 -2.887 0.00 0.00 -0.284 OA BRANCH 18 19 ATOM 19 P LIG 1 6.845 1.783 -2.590 0.00 0.00 +0.472 P ATOM 20 O LIG 1 7.255 1.859 -1.161 0.00 0.00 -0.228 OA BRANCH 19 21 ATOM 21 O LIG 1 6.885 3.201 -3.318 0.00 0.00 -0.303 OA ATOM 22 H LIG 1 6.599 3.920 -2.727 0.00 0.00 +0.222 HD ENDBRANCH 19 21 BRANCH 19 23 ATOM 23 O LIG 1 7.814 0.908 -3.502 0.00 0.00 -0.303 OA ATOM 24 H LIG 1 8.746 1.047 -3.263 0.00 0.00 +0.222 HD ENDBRANCH 19 23 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 7 11 ENDBRANCH 5 8 ENDBRANCH 1 5 BRANCH 2 25 ATOM 25 C LIG 1 -1.495 -1.097 1.987 0.00 0.00 +0.187 C BRANCH 25 26 ATOM 26 C LIG 1 -2.655 -0.337 2.657 0.00 0.00 +0.236 C ATOM 27 N LIG 1 -3.858 -0.155 2.039 0.00 0.00 -0.302 N ATOM 28 H LIG 1 -4.469 0.414 2.614 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -2.530 0.126 3.798 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C LIG 1 -4.154 -0.127 0.593 0.00 0.00 +0.163 C BRANCH 30 31 ATOM 31 C LIG 1 -4.166 -1.559 0.037 0.00 0.00 +0.231 C ATOM 32 O LIG 1 -3.462 -1.964 -0.882 0.00 0.00 -0.274 OA ATOM 33 N LIG 1 -5.054 -2.399 0.658 0.00 0.00 -0.328 N ATOM 34 H LIG 1 -4.935 -3.378 0.423 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 -5.242 -2.225 1.639 0.00 0.00 +0.145 HD ENDBRANCH 30 31 BRANCH 30 36 ATOM 36 C LIG 1 -3.268 0.851 -0.197 0.00 0.00 +0.067 C BRANCH 36 37 ATOM 37 C LIG 1 -4.014 1.495 -1.345 0.00 0.00 -0.045 A ATOM 38 C LIG 1 -4.063 0.874 -2.599 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -4.773 1.457 -3.650 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.441 2.665 -3.456 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.400 3.290 -2.211 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -4.692 2.708 -1.159 0.00 0.00 +0.004 A ENDBRANCH 36 37 ENDBRANCH 30 36 ENDBRANCH 27 30 ENDBRANCH 25 26 BRANCH 25 43 ATOM 43 C LIG 1 -1.456 -2.602 2.345 0.00 0.00 +0.141 C ATOM 44 C LIG 1 -1.680 -2.906 3.822 0.00 0.00 +0.040 C BRANCH 43 45 ATOM 45 O LIG 1 -2.413 -3.351 1.594 0.00 0.00 -0.390 OA ATOM 46 H LIG 1 -2.164 -3.278 0.650 0.00 0.00 +0.210 HD ENDBRANCH 43 45 ENDBRANCH 25 43 ENDBRANCH 2 25 TORSDOF 17