REMARK Name = BDB032473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.456 -1.847 1.241 0.00 0.00 +0.140 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 1.186 -0.982 1.860 0.00 0.00 +0.215 A ATOM 3 N LIG 1 1.153 0.303 2.266 0.00 0.00 -0.221 NA ATOM 4 C LIG 1 -0.064 0.881 2.341 0.00 0.00 +0.115 A ATOM 5 C LIG 1 -1.248 0.232 2.031 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.195 -1.100 1.612 0.00 0.00 -0.024 A ATOM 7 C LIG 1 0.057 -1.717 1.533 0.00 0.00 +0.072 A BRANCH 2 8 ATOM 8 O LIG 1 2.392 -1.647 1.747 0.00 0.00 -0.476 OA BRANCH 8 9 ATOM 9 C LIG 1 3.548 -0.835 1.972 0.00 0.00 +0.234 C BRANCH 9 14 ATOM 10 C LIG 1 6.080 1.377 -2.671 0.00 0.00 +0.104 C ATOM 11 N LIG 1 5.246 0.899 -1.572 0.00 0.00 -0.305 NA ATOM 12 C LIG 1 5.287 -0.556 -1.451 0.00 0.00 +0.084 C ATOM 13 C LIG 1 4.203 -1.044 -0.481 0.00 0.00 +0.022 C ATOM 14 C LIG 1 3.966 -0.082 0.701 0.00 0.00 +0.029 C ATOM 15 C LIG 1 5.210 0.773 0.946 0.00 0.00 +0.022 C ATOM 16 C LIG 1 5.600 1.567 -0.310 0.00 0.00 +0.084 C ENDBRANCH 9 14 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 6 BRANCH 1 17 ATOM 17 N LIG 1 -2.835 -1.718 -0.179 0.00 0.00 -0.328 N ATOM 18 C LIG 1 -1.947 -2.345 -1.156 0.00 0.00 +0.129 C BRANCH 17 19 ATOM 19 C LIG 1 -3.386 -0.468 -0.536 0.00 0.00 +0.038 A ATOM 20 C LIG 1 -4.752 -0.170 -0.247 0.00 0.00 +0.008 A ATOM 21 C LIG 1 -5.282 1.109 -0.550 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -6.641 1.359 -0.231 0.00 0.00 +0.124 A ATOM 23 N LIG 1 -7.452 0.443 0.326 0.00 0.00 -0.240 NA ATOM 24 C LIG 1 -6.935 -0.772 0.577 0.00 0.00 +0.113 A ATOM 25 C LIG 1 -4.437 2.065 -1.159 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -3.113 1.769 -1.464 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -5.625 -1.118 0.313 0.00 0.00 +0.030 A ATOM 28 C LIG 1 -2.596 0.515 -1.157 0.00 0.00 +0.024 A BRANCH 22 29 ATOM 29 N LIG 1 -7.237 2.604 -0.497 0.00 0.00 -0.343 N ATOM 30 H LIG 1 -6.726 3.330 -0.007 0.00 0.00 +0.144 HD ATOM 31 H LIG 1 -7.193 2.785 -1.494 0.00 0.00 +0.144 HD ENDBRANCH 22 29 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 7