REMARK Name = BDB024782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.802 -3.767 -0.190 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.725 -2.386 -0.449 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.951 -1.672 -0.862 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.749 -1.200 0.360 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.652 -0.546 -1.847 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.698 0.455 -1.237 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.502 -0.228 -0.639 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.323 0.524 -0.422 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -2.082 1.851 -0.695 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.837 2.082 -0.329 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.266 0.942 0.192 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.202 -0.067 0.138 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.179 -1.406 0.514 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.355 -2.144 0.308 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.521 -1.599 -0.259 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -3.874 -4.520 0.081 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.226 -5.639 -0.030 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.085 -4.240 -0.280 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.082 0.803 0.719 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 2.063 0.318 -0.358 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 3.456 0.236 0.116 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 4.393 -0.041 -0.995 0.00 0.00 +0.100 C ATOM 23 C LIG 1 4.793 -1.524 -1.157 0.00 0.00 +0.100 C ATOM 24 N LIG 1 5.355 -2.133 0.062 0.00 0.00 -0.297 NA ATOM 25 C LIG 1 5.032 -1.368 1.274 0.00 0.00 +0.100 C ATOM 26 C LIG 1 3.615 -0.760 1.200 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 27 C LIG 1 6.735 -2.611 -0.099 0.00 0.00 +0.057 C ATOM 28 C LIG 1 7.750 -2.619 1.010 0.00 0.00 +0.020 C ATOM 29 C LIG 1 7.895 -1.652 -0.130 0.00 0.00 +0.020 C ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.155 3.404 -0.450 0.00 0.00 +0.097 C BRANCH 30 31 ATOM 31 C LIG 1 -0.566 4.321 0.693 0.00 0.00 +0.151 C BRANCH 31 32 ATOM 32 N LIG 1 0.113 5.599 0.619 0.00 0.00 -0.271 N ATOM 33 N LIG 1 1.405 5.688 0.988 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 1.699 6.977 0.796 0.00 0.00 +0.134 A ATOM 35 C LIG 1 0.602 7.708 0.304 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -0.413 6.787 0.199 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 8