REMARK Name = BDB024761 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.697 -1.305 -0.291 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.956 -0.318 0.384 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.628 0.915 0.862 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.572 0.617 2.042 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.682 2.040 1.311 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.475 2.119 0.406 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.766 0.800 0.488 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.359 0.714 0.543 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.428 1.725 0.560 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.750 1.138 0.616 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.610 -0.235 0.624 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.735 -0.527 0.580 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.452 -1.723 0.564 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.849 -1.629 0.505 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.520 -0.396 0.461 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.255 -2.341 -0.778 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.815 -1.933 -1.103 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -7.020 -0.975 -0.403 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.680 -1.218 0.650 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 2.148 -1.590 -0.763 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 3.365 -2.408 -0.796 0.00 0.00 -0.308 NA ATOM 22 H LIG 1 3.353 -3.108 -0.054 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 4.578 -1.591 -0.668 0.00 0.00 +0.158 C BRANCH 23 24 ATOM 24 C LIG 1 5.777 -2.463 -0.645 0.00 0.00 +0.151 A ATOM 25 O LIG 1 6.252 -2.814 0.583 0.00 0.00 -0.358 OA ATOM 26 N LIG 1 7.364 -3.627 0.430 0.00 0.00 -0.086 NA ATOM 27 C LIG 1 7.535 -3.745 -0.889 0.00 0.00 +0.157 A ATOM 28 C LIG 1 6.564 -3.035 -1.615 0.00 0.00 +0.068 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 29 ATOM 29 C LIG 1 2.052 1.868 0.632 0.00 0.00 +0.097 C BRANCH 29 30 ATOM 30 C LIG 1 2.371 2.427 -0.749 0.00 0.00 +0.151 C BRANCH 30 31 ATOM 31 N LIG 1 3.758 2.844 -0.840 0.00 0.00 -0.271 N ATOM 32 N LIG 1 4.729 1.907 -0.883 0.00 0.00 -0.180 NA ATOM 33 C LIG 1 5.852 2.626 -0.959 0.00 0.00 +0.134 A ATOM 34 C LIG 1 5.603 4.011 -0.962 0.00 0.00 +0.041 A ATOM 35 C LIG 1 4.235 4.120 -0.883 0.00 0.00 +0.108 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 9