REMARK Name = BDB024831 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.927 -2.400 1.484 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.616 -1.554 0.405 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.706 -0.909 -0.368 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.485 -1.941 -1.205 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.255 0.204 -1.327 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.160 1.037 -0.703 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.008 0.121 -0.415 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.673 0.515 -0.644 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.193 1.695 -1.160 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.120 1.586 -1.165 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.508 0.353 -0.685 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.627 -0.346 -0.334 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.841 -1.611 0.212 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.171 -1.992 0.441 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.256 -1.154 0.145 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.126 -2.966 2.221 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 6.648 -3.336 2.789 0.00 0.00 +0.282 C ATOM 18 O LIG 1 6.276 -2.513 1.683 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.869 -0.161 -0.609 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.634 0.358 0.597 0.00 0.00 +0.235 C ATOM 21 N LIG 1 -3.982 0.009 0.695 0.00 0.00 -0.300 N ATOM 22 C LIG 1 -4.749 0.626 1.769 0.00 0.00 +0.132 C ATOM 23 O LIG 1 -2.098 1.073 1.444 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 -4.648 -1.047 -0.090 0.00 0.00 +0.141 C BRANCH 24 25 ATOM 25 C LIG 1 -4.813 -2.413 0.634 0.00 0.00 +0.076 C ATOM 26 C LIG 1 -5.484 -3.405 -0.323 0.00 0.00 +0.042 C ATOM 27 C LIG 1 -3.485 -2.997 1.123 0.00 0.00 +0.042 C BRANCH 25 28 ATOM 28 O LIG 1 -5.700 -2.275 1.749 0.00 0.00 -0.388 OA ATOM 29 H LIG 1 -5.176 -2.000 2.521 0.00 0.00 +0.210 HD ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -1.050 2.663 -1.620 0.00 0.00 +0.097 C BRANCH 30 31 ATOM 31 C LIG 1 -1.168 3.763 -0.572 0.00 0.00 +0.151 C BRANCH 31 32 ATOM 32 N LIG 1 -2.043 4.830 -1.021 0.00 0.00 -0.271 N ATOM 33 N LIG 1 -3.353 4.583 -1.229 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 -3.837 5.764 -1.619 0.00 0.00 +0.134 A ATOM 35 C LIG 1 -2.846 6.760 -1.672 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -1.692 6.124 -1.281 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9