REMARK Name = BDB017674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.728 -0.448 -1.454 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.199 0.853 -1.241 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.468 1.060 -0.691 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.307 -0.015 -0.356 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -4.647 0.277 0.208 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -5.529 -0.771 0.461 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -5.397 -1.564 -0.161 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -6.934 -0.510 0.756 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -7.041 0.702 1.675 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -6.329 1.912 1.062 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -4.996 1.556 0.457 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -4.090 2.686 0.121 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -4.404 3.854 0.332 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -2.819 -1.314 -0.555 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -2.893 2.370 -0.452 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -2.295 3.154 -0.675 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -1.549 -1.528 -1.103 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 0.645 -0.689 -2.045 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 4.292 -1.057 -0.008 0.00 0.00 -0.311 N ATOM 20 C LIG 1 4.043 -0.979 -1.457 0.00 0.00 +0.122 C ATOM 21 C LIG 1 2.797 -1.814 -1.831 0.00 0.00 +0.103 C ATOM 22 N LIG 1 1.545 -1.425 -1.143 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 1.829 -0.655 0.090 0.00 0.00 +0.103 C ATOM 24 C LIG 1 3.095 -1.117 0.850 0.00 0.00 +0.122 C BRANCH 19 28 ATOM 25 C LIG 1 7.740 0.847 1.292 0.00 0.00 +0.162 A ATOM 26 N LIG 1 7.346 0.959 0.012 0.00 0.00 -0.137 NA ATOM 27 N LIG 1 6.193 0.317 -0.402 0.00 0.00 -0.133 NA ATOM 28 C LIG 1 5.434 -0.411 0.449 0.00 0.00 +0.144 A ATOM 29 C LIG 1 5.856 -0.534 1.771 0.00 0.00 +0.048 A ATOM 30 C LIG 1 7.020 0.103 2.205 0.00 0.00 +0.044 A BRANCH 25 32 ATOM 31 N LIG 1 9.915 2.076 1.982 0.00 0.00 -0.189 NA ATOM 32 C LIG 1 8.943 1.533 1.649 0.00 0.00 +0.121 C ENDBRANCH 25 32 ENDBRANCH 19 28 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4