REMARK Name = BDB027526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.003 2.262 1.590 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.967 1.430 2.007 0.00 0.00 -0.296 N ATOM 3 C LIG 1 -0.728 0.078 1.489 0.00 0.00 +0.130 C ATOM 4 C LIG 1 0.775 -0.229 1.296 0.00 0.00 +0.090 C ATOM 5 C LIG 1 1.537 -0.041 2.623 0.00 0.00 +0.025 C ATOM 6 C LIG 1 0.867 0.946 3.582 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.080 2.016 2.839 0.00 0.00 +0.108 C ATOM 8 O LIG 1 -2.027 3.471 1.806 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 -5.328 0.602 -0.546 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -4.590 1.661 -1.083 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -3.506 2.200 -0.380 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -3.144 1.668 0.858 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -3.886 0.626 1.417 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -4.971 0.095 0.713 0.00 0.00 +0.024 A BRANCH 9 16 ATOM 15 C LIG 1 -6.949 0.310 -2.438 0.00 0.00 +0.217 C ATOM 16 N LIG 1 -6.433 0.007 -1.187 0.00 0.00 -0.286 N ATOM 17 H LIG 1 -6.899 -0.732 -0.675 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -6.514 1.143 -3.224 0.00 0.00 -0.275 OA BRANCH 15 20 ATOM 19 C LIG 1 -8.761 -0.234 -4.117 0.00 0.00 +0.013 C ATOM 20 C LIG 1 -8.166 -0.546 -2.755 0.00 0.00 +0.093 C ENDBRANCH 15 20 ENDBRANCH 9 16 ENDBRANCH 1 12 BRANCH 4 21 ATOM 21 N LIG 1 0.941 -1.597 0.807 0.00 0.00 -0.309 N ATOM 22 H LIG 1 0.162 -1.979 0.280 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 2.047 -1.828 0.002 0.00 0.00 +0.217 A ATOM 24 N LIG 1 3.195 -1.169 0.197 0.00 0.00 -0.196 NA ATOM 25 C LIG 1 4.236 -1.446 -0.615 0.00 0.00 +0.149 A ATOM 26 C LIG 1 4.139 -2.379 -1.633 0.00 0.00 +0.036 A ATOM 27 C LIG 1 5.260 -2.676 -2.506 0.00 0.00 +0.018 A ATOM 28 C LIG 1 6.410 -2.026 -2.316 0.00 0.00 +0.071 A ATOM 29 C LIG 1 6.572 -1.013 -1.242 0.00 0.00 +0.253 A ATOM 30 O LIG 1 7.668 -0.466 -1.145 0.00 0.00 -0.268 OA ATOM 31 C LIG 1 2.915 -2.997 -1.757 0.00 0.00 +0.126 A ATOM 32 N LIG 1 5.475 -0.760 -0.427 0.00 0.00 -0.290 N ATOM 33 N LIG 1 1.863 -2.736 -0.960 0.00 0.00 -0.222 NA BRANCH 32 34 ATOM 34 C LIG 1 5.572 0.234 0.661 0.00 0.00 +0.086 C ATOM 35 C LIG 1 5.838 1.646 0.129 0.00 0.00 +0.031 C ATOM 36 C LIG 1 6.605 -0.167 1.718 0.00 0.00 +0.031 C ENDBRANCH 32 34 ENDBRANCH 21 23 ENDBRANCH 4 21 TORSDOF 6