REMARK Name = BDB053211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.416 -2.617 0.213 0.00 0.00 +0.217 A ATOM 2 N LIG 1 1.424 -2.241 -0.602 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 1.274 -0.932 -0.858 0.00 0.00 +0.127 A ATOM 4 C LIG 1 2.122 0.003 -0.298 0.00 0.00 +0.072 A ATOM 5 C LIG 1 3.115 -0.457 0.543 0.00 0.00 +0.078 A ATOM 6 N LIG 1 3.265 -1.772 0.801 0.00 0.00 -0.214 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.086 0.440 1.207 0.00 0.00 +0.003 A ATOM 8 C LIG 1 5.408 0.001 1.436 0.00 0.00 +0.037 A ATOM 9 C LIG 1 6.306 0.874 2.062 0.00 0.00 +0.068 A ATOM 10 C LIG 1 5.959 2.153 2.474 0.00 0.00 +0.041 A ATOM 11 C LIG 1 7.148 2.679 3.047 0.00 0.00 +0.146 A ATOM 12 N LIG 1 8.159 1.816 2.996 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 4.643 2.596 2.263 0.00 0.00 +0.014 A ATOM 14 N LIG 1 7.622 0.732 2.410 0.00 0.00 -0.275 N ATOM 15 H LIG 1 8.212 -0.080 2.271 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 3.728 1.733 1.635 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 7.266 3.910 3.569 0.00 0.00 -0.341 N ATOM 18 H LIG 1 8.219 4.224 3.718 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 6.650 4.645 3.247 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 3 20 ATOM 20 N LIG 1 0.246 -0.491 -1.729 0.00 0.00 -0.313 N ATOM 21 C LIG 1 -0.778 0.278 -0.986 0.00 0.00 +0.129 C ATOM 22 C LIG 1 -1.966 0.710 -1.895 0.00 0.00 +0.096 C ATOM 23 C LIG 1 -1.708 0.410 -3.381 0.00 0.00 +0.029 C ATOM 24 C LIG 1 -1.168 -1.002 -3.676 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -0.378 -0.986 -4.990 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -0.321 -1.582 -2.530 0.00 0.00 +0.110 C BRANCH 22 27 ATOM 27 N LIG 1 -3.273 0.262 -1.363 0.00 0.00 -0.266 N ATOM 28 C LIG 1 -3.721 0.887 -0.199 0.00 0.00 +0.403 C ATOM 29 O LIG 1 -3.123 1.817 0.330 0.00 0.00 -0.226 OA ATOM 30 C LIG 1 -3.883 -0.969 -1.845 0.00 0.00 +0.136 C BRANCH 28 31 ATOM 31 O LIG 1 -4.870 0.347 0.279 0.00 0.00 -0.445 OA BRANCH 31 32 ATOM 32 C LIG 1 -5.493 0.853 1.488 0.00 0.00 +0.107 C ATOM 33 C LIG 1 -6.746 -0.018 1.671 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -4.583 0.662 2.706 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -5.933 2.311 1.321 0.00 0.00 +0.055 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 22 27 ENDBRANCH 3 20 BRANCH 1 37 ATOM 36 C LIG 1 1.400 -4.737 0.587 0.00 0.00 +0.128 C ATOM 37 N LIG 1 2.616 -3.961 0.508 0.00 0.00 -0.316 N ATOM 38 H LIG 1 3.192 -3.970 1.343 0.00 0.00 +0.149 HD ENDBRANCH 1 37 TORSDOF 7