REMARK Name = BDB024751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.747 -0.937 1.314 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.884 0.029 0.769 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.489 1.331 0.416 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.394 1.212 -0.822 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.485 2.465 0.159 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.313 2.369 1.113 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.653 1.042 0.876 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.250 0.900 0.839 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.285 1.857 0.978 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.880 1.248 0.847 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.698 -0.111 0.662 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.673 -0.342 0.625 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.448 -1.489 0.422 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.841 -1.343 0.468 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.456 -0.107 0.712 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.969 -0.808 1.357 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.682 -1.178 0.501 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.184 -1.320 -0.947 0.00 0.00 +0.036 C ATOM 19 C LIG 1 -3.371 -2.295 -1.096 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -3.488 -3.256 0.100 0.00 0.00 +0.011 C ATOM 21 C LIG 1 -3.548 -2.561 1.468 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.839 -1.203 1.501 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.660 -1.580 -1.352 0.00 0.00 +0.152 A ATOM 24 N LIG 1 -5.050 -1.145 -2.589 0.00 0.00 -0.242 N ATOM 25 H LIG 1 -4.568 -1.181 -3.478 0.00 0.00 +0.192 HD ATOM 26 N LIG 1 -6.279 -0.617 -2.522 0.00 0.00 -0.047 NA ATOM 27 N LIG 1 -6.617 -0.690 -1.243 0.00 0.00 -0.023 NA ATOM 28 N LIG 1 -5.623 -1.282 -0.504 0.00 0.00 -0.113 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 30 ATOM 29 C LIG 1 5.990 -2.963 2.480 0.00 0.00 +0.282 C ATOM 30 O LIG 1 5.118 -2.014 1.866 0.00 0.00 -0.453 OA ENDBRANCH 1 30 BRANCH 10 31 ATOM 31 C LIG 1 -2.180 1.995 0.887 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 -2.782 2.278 -0.471 0.00 0.00 -0.040 A ATOM 33 C LIG 1 -4.154 2.093 -0.688 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -4.725 2.401 -1.925 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.934 2.898 -2.959 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.572 3.099 -2.753 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.001 2.800 -1.515 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 5