REMARK Name = BDB024504 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.217 -1.980 0.617 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.565 -0.793 0.993 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.301 0.249 1.753 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.360 0.938 0.874 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.422 1.355 2.357 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.129 0.782 2.889 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.414 0.144 1.736 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.018 0.267 1.568 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.118 0.962 2.334 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.061 0.787 1.770 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.955 -0.034 0.660 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.378 -0.362 0.508 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.080 -1.129 -0.424 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.465 -1.254 -0.247 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.145 -0.641 0.815 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.714 -2.932 0.029 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.050 -0.441 -0.217 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.255 -1.966 -0.276 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.687 -2.457 -1.660 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -3.721 -1.541 -2.356 0.00 0.00 +0.065 C ATOM 21 C LIG 1 -5.060 -1.597 -1.595 0.00 0.00 +0.023 C ATOM 22 C LIG 1 -3.202 -0.081 -2.443 0.00 0.00 +0.020 C ATOM 23 C LIG 1 -1.948 0.194 -1.608 0.00 0.00 +0.026 C BRANCH 20 24 ATOM 24 C LIG 1 -3.968 -2.071 -3.769 0.00 0.00 +0.311 C ATOM 25 O LIG 1 -3.454 -3.049 -4.285 0.00 0.00 -0.250 OA BRANCH 24 26 ATOM 26 O LIG 1 -4.860 -1.337 -4.464 0.00 0.00 -0.480 OA ATOM 27 H LIG 1 -4.913 -1.790 -5.333 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 20 24 ENDBRANCH 11 17 BRANCH 1 29 ATOM 28 C LIG 1 7.226 -3.206 0.692 0.00 0.00 +0.282 C ATOM 29 O LIG 1 6.523 -2.007 1.024 0.00 0.00 -0.453 OA ENDBRANCH 1 29 BRANCH 10 30 ATOM 30 C LIG 1 -2.333 1.409 2.271 0.00 0.00 +0.109 C BRANCH 30 31 ATOM 31 C LIG 1 -2.897 2.482 1.361 0.00 0.00 -0.040 A ATOM 32 C LIG 1 -2.090 3.534 0.902 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -2.615 4.518 0.064 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.955 4.470 -0.314 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.773 3.442 0.150 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.250 2.457 0.989 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6