REMARK Name = BDB005165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.408 -2.443 -0.103 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.342 -1.711 -0.652 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.911 -2.296 -0.918 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -1.107 -3.648 -0.628 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.059 -4.404 -0.114 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.183 -3.810 0.136 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.855 -0.433 0.176 0.00 0.00 +0.251 C ATOM 8 N LIG 1 2.692 -1.832 0.155 0.00 0.00 -0.271 N ATOM 9 C LIG 1 3.790 -2.702 0.585 0.00 0.00 +0.138 C ATOM 10 O LIG 1 1.966 0.392 0.381 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 6.735 1.239 -0.547 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.232 0.242 -1.390 0.00 0.00 +0.046 A ATOM 13 C LIG 1 4.971 -0.313 -1.165 0.00 0.00 +0.016 A ATOM 14 C LIG 1 4.211 0.120 -0.074 0.00 0.00 +0.037 A ATOM 15 C LIG 1 4.697 1.134 0.758 0.00 0.00 +0.016 A ATOM 16 C LIG 1 5.961 1.686 0.526 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 8.524 2.735 -0.084 0.00 0.00 +0.277 C ATOM 18 O LIG 1 7.982 1.691 -0.883 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 19 ATOM 19 C LIG 1 -2.043 -1.452 -1.459 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 N LIG 1 -2.765 -0.875 -0.332 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -2.121 -0.381 0.283 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.826 -0.013 -0.677 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -4.564 0.622 0.345 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -5.605 1.477 -0.065 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -6.345 2.132 0.943 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -6.063 1.931 2.308 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -5.046 1.076 2.700 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -5.872 1.645 -1.380 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -5.127 0.970 -2.263 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -4.304 0.425 1.725 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -4.121 0.147 -1.976 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -7.472 3.074 0.652 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -8.113 3.608 1.552 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -7.783 3.336 -0.649 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -8.556 3.951 -0.855 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -7.282 2.879 -1.405 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 7