REMARK Name = BDB024830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.362 -2.846 0.286 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.105 -1.465 0.224 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.036 -0.507 0.869 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.376 -0.435 0.114 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.507 0.931 0.992 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.038 0.933 1.346 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.310 0.219 0.246 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.069 0.678 -0.242 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.356 1.794 0.118 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.732 1.796 -0.626 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.770 0.674 -1.429 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.402 -0.029 -1.234 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.928 -1.191 -1.800 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.160 -1.642 -1.307 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.854 -0.971 -0.289 0.00 0.00 +0.045 A ATOM 16 O LIG 1 3.650 -3.740 -0.161 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 5.812 -4.522 1.082 0.00 0.00 +0.282 C ATOM 18 O LIG 1 5.516 -3.130 0.964 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.812 0.316 -2.375 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -3.183 0.140 -1.755 0.00 0.00 +0.235 C ATOM 21 N LIG 1 -3.461 -1.032 -1.086 0.00 0.00 -0.299 N ATOM 22 C LIG 1 -2.523 -2.077 -0.689 0.00 0.00 +0.120 C ATOM 23 C LIG 1 -3.332 -3.049 0.174 0.00 0.00 +0.093 C ATOM 24 C LIG 1 -4.781 -2.766 -0.229 0.00 0.00 +0.033 C ATOM 25 C LIG 1 -4.776 -1.274 -0.524 0.00 0.00 +0.108 C ATOM 26 O LIG 1 -4.044 1.012 -1.902 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 C LIG 1 -3.120 -2.826 1.661 0.00 0.00 +0.215 C ATOM 28 O LIG 1 -2.445 -1.928 2.146 0.00 0.00 -0.276 OA ATOM 29 N LIG 1 -3.758 -3.722 2.471 0.00 0.00 -0.329 N ATOM 30 H LIG 1 -3.564 -3.647 3.463 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 -4.115 -4.603 2.128 0.00 0.00 +0.145 HD ENDBRANCH 23 27 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 -1.786 2.858 -0.606 0.00 0.00 +0.097 C BRANCH 32 33 ATOM 33 C LIG 1 -1.281 4.134 0.058 0.00 0.00 +0.151 C BRANCH 33 34 ATOM 34 N LIG 1 -2.301 5.166 0.072 0.00 0.00 -0.271 N ATOM 35 N LIG 1 -2.522 5.907 -1.032 0.00 0.00 -0.180 NA ATOM 36 C LIG 1 -3.507 6.731 -0.665 0.00 0.00 +0.134 A ATOM 37 C LIG 1 -3.913 6.522 0.665 0.00 0.00 +0.041 A ATOM 38 C LIG 1 -3.111 5.502 1.119 0.00 0.00 +0.108 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 7