REMARK Name = BDB024871 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.828 -2.170 1.834 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.364 -1.125 1.018 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.312 -0.107 0.500 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.244 -0.708 -0.568 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.658 1.142 -0.115 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.417 1.536 0.655 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.466 0.377 0.591 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.084 0.558 0.376 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.383 1.720 0.173 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.875 1.370 -0.013 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -1.016 0.003 0.116 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.232 -0.538 0.348 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.689 -1.844 0.529 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.063 -2.014 0.750 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.958 -0.934 0.787 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.142 -3.038 2.361 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 6.705 -3.153 2.860 0.00 0.00 +0.282 C ATOM 18 O LIG 1 6.178 -2.111 2.037 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -2.252 -0.760 0.072 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.648 -1.118 -1.349 0.00 0.00 +0.236 C ATOM 21 N LIG 1 -2.989 -2.428 -1.611 0.00 0.00 -0.294 N ATOM 22 C LIG 1 -3.195 -3.514 -0.653 0.00 0.00 +0.183 C ATOM 23 C LIG 1 -3.877 -4.615 -1.459 0.00 0.00 +0.266 C ATOM 24 F LIG 1 -3.536 -5.847 -1.035 0.00 0.00 -0.204 F ATOM 25 F LIG 1 -5.223 -4.500 -1.365 0.00 0.00 -0.204 F ATOM 26 C LIG 1 -3.427 -4.363 -2.883 0.00 0.00 +0.096 C ATOM 27 C LIG 1 -3.394 -2.844 -2.945 0.00 0.00 +0.114 C ATOM 28 O LIG 1 -2.684 -0.265 -2.237 0.00 0.00 -0.274 OA ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 29 ATOM 29 C LIG 1 -1.982 2.323 -0.342 0.00 0.00 +0.096 C BRANCH 29 30 ATOM 30 C LIG 1 -1.916 3.577 0.540 0.00 0.00 +0.132 C BRANCH 30 31 ATOM 31 N LIG 1 -3.119 4.406 0.405 0.00 0.00 -0.315 N ATOM 32 C LIG 1 -3.188 5.312 -0.656 0.00 0.00 +0.251 A ATOM 33 O LIG 1 -2.301 5.492 -1.488 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -4.449 6.099 -0.756 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -5.441 5.904 0.122 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -5.301 4.935 1.177 0.00 0.00 +0.018 A ATOM 37 C LIG 1 -4.171 4.226 1.288 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6