REMARK Name = BDB024529 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.373 -1.785 0.535 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.728 -0.717 -0.116 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.527 0.161 -0.997 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.616 -0.418 -2.415 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.026 1.601 -0.975 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.582 1.668 -1.416 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.739 0.669 -0.676 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.338 0.869 -0.618 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.606 1.917 -1.121 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.644 1.700 -0.755 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.757 0.459 -0.159 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.515 -0.037 0.038 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.038 -1.146 0.698 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.426 -1.343 0.632 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.299 -0.475 -0.045 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.878 -2.565 1.341 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.015 -0.148 0.343 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.068 -1.713 0.304 0.00 0.00 +0.032 C ATOM 19 C LIG 1 -3.480 -1.571 -0.194 0.00 0.00 -0.024 C ATOM 20 C LIG 1 -4.066 -2.595 -1.126 0.00 0.00 +0.021 C ATOM 21 C LIG 1 -5.432 -2.364 -0.405 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -4.628 -1.731 0.776 0.00 0.00 +0.021 C ATOM 23 C LIG 1 -3.172 -0.187 -0.713 0.00 0.00 +0.032 C BRANCH 21 24 ATOM 24 C LIG 1 -6.282 -3.628 -0.084 0.00 0.00 +0.308 C ATOM 25 O LIG 1 -5.909 -4.598 0.567 0.00 0.00 -0.251 OA BRANCH 24 26 ATOM 26 O LIG 1 -7.541 -3.592 -0.598 0.00 0.00 -0.480 OA ATOM 27 H LIG 1 -7.736 -2.782 -1.104 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 21 24 ENDBRANCH 11 17 BRANCH 1 29 ATOM 28 C LIG 1 7.401 -2.954 0.813 0.00 0.00 +0.282 C ATOM 29 O LIG 1 6.693 -1.887 0.181 0.00 0.00 -0.453 OA ENDBRANCH 1 29 BRANCH 10 30 ATOM 30 C LIG 1 -1.751 2.695 -0.930 0.00 0.00 +0.109 C BRANCH 30 31 ATOM 31 C LIG 1 -2.331 3.221 0.366 0.00 0.00 -0.040 A ATOM 32 C LIG 1 -3.721 3.334 0.525 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.263 3.831 1.712 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.423 4.234 2.748 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.041 4.149 2.596 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.498 3.654 1.410 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6