REMARK Name = BDB012741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.596 -0.265 -0.821 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -2.707 0.062 -0.098 0.00 0.00 +0.169 A ATOM 3 C LIG 1 -3.746 -0.572 -0.742 0.00 0.00 +0.172 A ATOM 4 C LIG 1 -5.074 -0.424 -0.187 0.00 0.00 +0.280 A ATOM 5 N LIG 1 -5.083 0.383 0.942 0.00 0.00 -0.293 N ATOM 6 H LIG 1 -5.976 0.475 1.395 0.00 0.00 +0.172 HD ATOM 7 C LIG 1 -3.961 0.961 1.501 0.00 0.00 +0.195 A ATOM 8 O LIG 1 -6.100 -0.935 -0.627 0.00 0.00 -0.265 OA ATOM 9 N LIG 1 -3.312 -1.262 -1.846 0.00 0.00 -0.229 NA ATOM 10 N LIG 1 -2.756 0.833 1.015 0.00 0.00 -0.196 NA ATOM 11 C LIG 1 -2.010 -1.054 -1.867 0.00 0.00 +0.202 A ENDROOT BRANCH 7 12 ATOM 12 N LIG 1 -4.163 1.705 2.617 0.00 0.00 -0.329 N ATOM 13 H LIG 1 -5.010 2.257 2.641 0.00 0.00 +0.145 HD ATOM 14 H LIG 1 -3.340 2.250 2.857 0.00 0.00 +0.145 HD ENDBRANCH 7 12 BRANCH 1 15 ATOM 15 C LIG 1 -0.232 0.181 -0.587 0.00 0.00 +0.157 C BRANCH 15 17 ATOM 16 C LIG 1 0.301 -1.925 0.719 0.00 0.00 +0.012 C ATOM 17 C LIG 1 0.699 -0.869 -0.015 0.00 0.00 -0.032 C BRANCH 17 18 ATOM 18 C LIG 1 2.158 -0.648 -0.325 0.00 0.00 +0.192 C BRANCH 18 19 ATOM 19 O LIG 1 2.510 0.661 0.115 0.00 0.00 -0.363 OA BRANCH 19 20 ATOM 20 C LIG 1 3.755 1.129 -0.420 0.00 0.00 +0.286 C BRANCH 20 21 ATOM 21 P LIG 1 5.152 0.139 0.106 0.00 0.00 +0.353 P ATOM 22 O LIG 1 5.281 -0.188 1.555 0.00 0.00 -0.256 OA BRANCH 21 23 ATOM 23 O LIG 1 6.454 0.851 -0.509 0.00 0.00 -0.323 OA ATOM 24 H LIG 1 6.320 1.374 -1.319 0.00 0.00 +0.220 HD ENDBRANCH 21 23 BRANCH 21 25 ATOM 25 O LIG 1 5.129 -1.178 -0.814 0.00 0.00 -0.323 OA ATOM 26 H LIG 1 5.803 -1.815 -0.501 0.00 0.00 +0.220 HD ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 1 15 TORSDOF 9