REMARK Name = BDB024769 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.226 -3.606 -0.592 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.901 -2.247 -0.758 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.858 -1.371 -1.464 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.631 -1.420 -2.981 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.851 0.051 -0.911 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.472 0.658 -1.021 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.427 -0.263 -0.461 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.181 0.277 -0.066 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.751 1.583 -0.110 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.526 1.586 0.375 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.141 0.308 0.719 0.00 0.00 -0.326 N ATOM 12 C LIG 1 1.186 -0.543 0.444 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.355 -1.917 0.577 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.589 -2.449 0.173 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.637 -1.665 -0.341 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.583 -4.449 0.024 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 6.790 -5.304 -1.068 0.00 0.00 +0.282 C ATOM 18 O LIG 1 6.404 -3.935 -1.208 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.148 -0.088 1.264 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 -2.152 -0.425 0.152 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 -3.466 -0.852 0.666 0.00 0.00 -0.301 NA ATOM 22 C LIG 1 -4.226 -1.547 -0.394 0.00 0.00 +0.085 C ATOM 23 C LIG 1 -5.744 -1.574 -0.162 0.00 0.00 +0.021 C ATOM 24 C LIG 1 -6.076 -1.557 1.332 0.00 0.00 +0.017 C ATOM 25 C LIG 1 -5.472 -0.297 1.982 0.00 0.00 +0.021 C ATOM 26 C LIG 1 -4.251 0.250 1.227 0.00 0.00 +0.085 C BRANCH 24 27 ATOM 27 C LIG 1 -7.579 -1.688 1.592 0.00 0.00 +0.159 C BRANCH 27 28 ATOM 28 O LIG 1 -8.322 -0.668 0.936 0.00 0.00 -0.395 OA ATOM 29 H LIG 1 -8.238 0.145 1.462 0.00 0.00 +0.209 HD ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.353 2.787 0.517 0.00 0.00 +0.097 C BRANCH 30 31 ATOM 31 C LIG 1 0.388 4.080 0.192 0.00 0.00 +0.151 C BRANCH 31 32 ATOM 32 N LIG 1 -0.509 5.222 0.210 0.00 0.00 -0.271 N ATOM 33 N LIG 1 -1.093 5.599 1.365 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 -1.837 6.651 1.014 0.00 0.00 +0.134 A ATOM 35 C LIG 1 -1.748 6.936 -0.360 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -0.884 5.988 -0.857 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9