REMARK Name = BDB024984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.747 0.789 0.665 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.847 0.992 -0.396 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.247 1.824 -1.558 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.319 1.119 -2.408 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.101 2.213 -2.505 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.847 2.532 -1.725 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.470 1.299 -0.958 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.127 0.885 -0.833 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.002 1.458 -1.360 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.016 0.743 -0.925 0.00 0.00 +0.204 A ATOM 11 N LIG 1 -0.566 -0.360 -0.215 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.806 -0.246 -0.092 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.782 -1.000 0.562 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.112 -0.575 0.444 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.477 0.558 -0.297 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.528 0.159 1.695 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.385 -1.489 0.225 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -0.965 -2.811 -0.444 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -1.929 -3.960 -0.104 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.552 -3.832 1.298 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.660 -3.038 2.245 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.466 -1.602 1.759 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.000 -4.067 -1.179 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.124 -3.600 -1.099 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.576 -4.726 -2.282 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.652 -5.035 -2.242 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.883 1.278 1.525 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.941 1.426 0.462 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.346 0.973 -1.144 0.00 0.00 -0.274 N ATOM 30 C LIG 1 -2.628 1.888 -2.261 0.00 0.00 +0.138 C BRANCH 29 31 ATOM 31 C LIG 1 -3.214 1.287 -0.050 0.00 0.00 +0.040 A ATOM 32 C LIG 1 -4.571 0.929 -0.117 0.00 0.00 +0.069 A ATOM 33 C LIG 1 -5.452 1.204 0.934 0.00 0.00 +0.122 A ATOM 34 C LIG 1 -4.974 1.848 2.075 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -3.629 2.211 2.161 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -2.756 1.932 1.109 0.00 0.00 +0.024 A BRANCH 33 37 ATOM 37 O LIG 1 -6.740 0.796 0.722 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -7.666 1.007 1.780 0.00 0.00 +0.277 C ENDBRANCH 33 37 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7