REMARK Name = BDB022464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.621 0.456 0.971 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.520 -0.084 0.278 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.573 -0.892 0.930 0.00 0.00 -0.016 A ATOM 4 C LIG 1 0.750 -1.159 2.298 0.00 0.00 +0.008 A ATOM 5 C LIG 1 1.831 -0.620 3.001 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.755 0.191 2.344 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.584 -1.435 0.212 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -1.617 -0.620 -0.233 0.00 0.00 +0.121 A ATOM 9 N LIG 1 -2.737 -1.062 -0.858 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 -2.863 -2.384 -1.065 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -1.870 -3.280 -0.683 0.00 0.00 +0.044 A ATOM 12 C LIG 1 -0.727 -2.801 -0.037 0.00 0.00 +0.013 A BRANCH 10 13 ATOM 13 N LIG 1 -4.021 -2.923 -1.636 0.00 0.00 -0.267 N ATOM 14 H LIG 1 -4.083 -3.929 -1.701 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 -5.194 -2.322 -1.980 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -6.162 -3.016 -2.295 0.00 0.00 -0.270 OA BRANCH 15 17 ATOM 17 C LIG 1 -5.295 -0.848 -1.973 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -6.326 -0.249 -1.364 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -6.470 1.242 -1.284 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 -7.867 1.677 -1.422 0.00 0.00 -0.297 NA ATOM 21 C LIG 1 -7.957 3.130 -1.631 0.00 0.00 +0.103 C ATOM 22 C LIG 1 -9.419 3.452 -1.324 0.00 0.00 +0.107 C ATOM 23 C LIG 1 -9.871 2.343 -0.369 0.00 0.00 +0.035 C ATOM 24 C LIG 1 -8.658 1.432 -0.210 0.00 0.00 +0.086 C BRANCH 22 25 ATOM 25 C LIG 1 -9.561 4.788 -0.737 0.00 0.00 +0.067 C ATOM 26 N LIG 1 -9.673 5.842 -0.265 0.00 0.00 -0.196 NA ENDBRANCH 22 25 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 3.341 2.812 0.548 0.00 0.00 +0.022 C ATOM 28 C LIG 1 3.624 1.339 0.238 0.00 0.00 +0.102 C BRANCH 28 29 ATOM 29 C LIG 1 5.086 0.973 0.546 0.00 0.00 +0.225 C ATOM 30 N LIG 1 5.379 -0.344 0.267 0.00 0.00 -0.268 N ATOM 31 H LIG 1 4.661 -0.979 -0.057 0.00 0.00 +0.156 HD ATOM 32 O LIG 1 5.889 1.803 0.966 0.00 0.00 -0.275 OA BRANCH 30 33 ATOM 33 C LIG 1 6.600 -0.947 0.438 0.00 0.00 +0.147 A ATOM 34 N LIG 1 6.726 -2.239 0.117 0.00 0.00 -0.158 NA ATOM 35 N LIG 1 8.015 -2.517 0.386 0.00 0.00 -0.280 N ATOM 36 H LIG 1 8.356 -3.456 0.214 0.00 0.00 +0.189 HD ATOM 37 C LIG 1 8.705 -1.449 0.869 0.00 0.00 +0.041 A ATOM 38 C LIG 1 7.814 -0.408 0.922 0.00 0.00 +0.068 A BRANCH 37 39 ATOM 39 C LIG 1 10.187 -1.435 1.298 0.00 0.00 +0.037 C ATOM 40 C LIG 1 11.074 -0.310 0.831 0.00 0.00 +0.010 C ATOM 41 C LIG 1 11.244 -1.688 0.255 0.00 0.00 +0.010 C ENDBRANCH 37 39 ENDBRANCH 30 33 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 10