REMARK Name = BDB024780 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.197 3.609 0.032 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.488 2.601 -0.645 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.836 2.268 -2.050 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -3.439 3.404 -3.011 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.197 0.977 -2.585 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.212 -0.102 -1.526 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.413 0.403 -0.361 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.538 -0.438 0.358 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.248 -1.764 0.149 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.376 -2.098 1.079 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.068 -1.014 1.878 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.826 0.055 1.444 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.951 1.377 1.873 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -1.832 2.202 1.162 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.571 1.744 0.061 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.038 3.952 1.199 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -5.956 5.168 -0.089 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.164 4.180 -0.750 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 0.888 -0.983 2.976 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 2.358 -1.022 2.520 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 2.667 0.033 1.559 0.00 0.00 -0.299 NA ATOM 22 C LIG 1 3.820 -0.264 0.698 0.00 0.00 +0.106 C ATOM 23 C LIG 1 3.940 1.063 -0.059 0.00 0.00 +0.088 C ATOM 24 C LIG 1 3.706 2.097 1.046 0.00 0.00 +0.039 C ATOM 25 C LIG 1 2.958 1.341 2.149 0.00 0.00 +0.086 C BRANCH 23 26 ATOM 26 N LIG 1 2.901 1.174 -1.085 0.00 0.00 -0.311 N ATOM 27 H LIG 1 1.954 1.222 -0.721 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 3.044 0.526 -2.292 0.00 0.00 +0.210 C ATOM 29 O LIG 1 4.083 -0.021 -2.651 0.00 0.00 -0.276 OA ATOM 30 C LIG 1 1.801 0.530 -3.142 0.00 0.00 +0.109 C ENDBRANCH 23 26 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 0.216 -3.461 1.216 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 1.165 -3.746 0.057 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 1.912 -4.971 0.271 0.00 0.00 -0.271 N ATOM 34 N LIG 1 2.850 -5.018 1.240 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 3.337 -6.258 1.144 0.00 0.00 +0.134 A ATOM 36 C LIG 1 2.709 -7.003 0.129 0.00 0.00 +0.041 A ATOM 37 C LIG 1 1.788 -6.141 -0.419 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8