REMARK Name = BDB045010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.050 1.805 0.407 0.00 0.00 +0.068 A ATOM 2 C LIG 1 -0.892 0.785 0.215 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -2.273 1.040 0.333 0.00 0.00 +0.080 A ATOM 4 C LIG 1 -2.692 2.343 0.648 0.00 0.00 +0.129 A ATOM 5 C LIG 1 -1.757 3.364 0.841 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -0.392 3.097 0.721 0.00 0.00 +0.031 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 3.427 0.682 0.004 0.00 0.00 +0.113 A ATOM 8 N LIG 1 3.567 2.010 0.301 0.00 0.00 -0.129 NA ATOM 9 N LIG 1 2.360 2.529 0.472 0.00 0.00 -0.060 NA ATOM 10 N LIG 1 1.442 1.550 0.288 0.00 0.00 -0.219 N ATOM 11 C LIG 1 2.086 0.369 -0.009 0.00 0.00 +0.144 A BRANCH 7 14 ATOM 12 C LIG 1 6.960 -0.545 -0.429 0.00 0.00 +0.060 A ATOM 13 C LIG 1 5.857 0.289 -0.191 0.00 0.00 +0.025 A ATOM 14 C LIG 1 4.546 -0.211 -0.248 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.359 -1.568 -0.549 0.00 0.00 +0.010 A ATOM 16 C LIG 1 5.454 -2.405 -0.788 0.00 0.00 +0.001 A ATOM 17 C LIG 1 6.751 -1.896 -0.728 0.00 0.00 +0.015 A BRANCH 12 18 ATOM 18 C LIG 1 8.323 0.051 -0.352 0.00 0.00 +0.339 C ATOM 19 O LIG 1 8.534 1.226 -0.093 0.00 0.00 -0.245 OA BRANCH 18 21 ATOM 20 C LIG 1 10.608 -0.386 -0.551 0.00 0.00 +0.280 C ATOM 21 O LIG 1 9.271 -0.885 -0.607 0.00 0.00 -0.464 OA ENDBRANCH 18 21 ENDBRANCH 12 18 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 22 ATOM 22 C LIG 1 -3.200 -0.124 0.107 0.00 0.00 +0.252 C ATOM 23 N LIG 1 -4.549 0.138 0.227 0.00 0.00 -0.281 N ATOM 24 H LIG 1 -4.785 1.100 0.458 0.00 0.00 +0.155 HD ATOM 25 O LIG 1 -2.704 -1.214 -0.165 0.00 0.00 -0.270 OA BRANCH 23 26 ATOM 26 C LIG 1 -5.629 -0.752 0.070 0.00 0.00 +0.034 A ATOM 27 C LIG 1 -6.916 -0.228 0.248 0.00 0.00 +0.035 A ATOM 28 C LIG 1 -8.058 -1.036 0.107 0.00 0.00 +0.057 A ATOM 29 C LIG 1 -7.894 -2.391 -0.203 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -6.617 -2.920 -0.382 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -5.491 -2.103 -0.247 0.00 0.00 +0.023 A BRANCH 28 32 ATOM 32 C LIG 1 -9.432 -0.457 0.326 0.00 0.00 +0.417 C ATOM 33 F LIG 1 -10.406 -1.098 -0.379 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -9.816 -0.513 1.631 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -9.520 0.856 -0.032 0.00 0.00 -0.166 F ENDBRANCH 28 32 ENDBRANCH 23 26 ENDBRANCH 3 22 BRANCH 4 36 ATOM 36 O LIG 1 -4.024 2.645 0.775 0.00 0.00 -0.506 OA ATOM 37 H LIG 1 -4.112 3.592 0.992 0.00 0.00 +0.292 HD ENDBRANCH 4 36 TORSDOF 8