REMARK Name = BDB060730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.175 -1.597 -0.216 0.00 0.00 +0.097 A ATOM 2 C LIG 1 -0.193 -0.240 -0.095 0.00 0.00 +0.101 A ATOM 3 N LIG 1 -1.503 0.137 0.006 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 -2.418 -0.851 -0.053 0.00 0.00 +0.234 A ATOM 5 C LIG 1 -2.059 -2.179 -0.199 0.00 0.00 +0.178 A ATOM 6 N LIG 1 -0.769 -2.580 -0.285 0.00 0.00 -0.248 NA ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 4.228 -3.081 -0.383 0.00 0.00 -0.015 A ATOM 8 C LIG 1 3.281 -3.459 -1.342 0.00 0.00 +0.009 A ATOM 9 C LIG 1 1.968 -2.977 -1.277 0.00 0.00 +0.011 A ATOM 10 C LIG 1 1.562 -2.098 -0.259 0.00 0.00 +0.002 A ATOM 11 C LIG 1 2.512 -1.746 0.713 0.00 0.00 +0.011 A ATOM 12 C LIG 1 3.827 -2.225 0.649 0.00 0.00 +0.009 A BRANCH 7 16 ATOM 13 C LIG 1 7.686 -4.254 0.024 0.00 0.00 +0.195 A ATOM 14 O LIG 1 7.535 -4.311 -1.323 0.00 0.00 -0.470 OA ATOM 15 C LIG 1 6.271 -3.895 -1.595 0.00 0.00 +0.203 A ATOM 16 C LIG 1 5.596 -3.571 -0.434 0.00 0.00 +0.020 A ATOM 17 C LIG 1 6.530 -3.802 0.616 0.00 0.00 +0.049 A ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 2 18 ATOM 18 C LIG 1 0.749 0.894 -0.086 0.00 0.00 +0.003 A ATOM 19 C LIG 1 0.693 1.857 0.936 0.00 0.00 +0.011 A ATOM 20 C LIG 1 1.582 2.938 0.965 0.00 0.00 +0.009 A ATOM 21 C LIG 1 2.552 3.092 -0.032 0.00 0.00 -0.015 A ATOM 22 C LIG 1 2.601 2.150 -1.067 0.00 0.00 +0.009 A ATOM 23 C LIG 1 1.708 1.071 -1.096 0.00 0.00 +0.011 A BRANCH 21 24 ATOM 24 C LIG 1 3.471 4.218 0.011 0.00 0.00 +0.020 A ATOM 25 C LIG 1 4.764 4.193 -0.471 0.00 0.00 +0.203 A ATOM 26 O LIG 1 5.378 5.390 -0.279 0.00 0.00 -0.470 OA ATOM 27 C LIG 1 4.478 6.197 0.338 0.00 0.00 +0.195 A ATOM 28 C LIG 1 3.295 5.527 0.544 0.00 0.00 +0.049 A ENDBRANCH 21 24 ENDBRANCH 2 18 BRANCH 4 29 ATOM 29 O LIG 1 -3.762 -0.562 0.036 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 -4.038 0.838 0.116 0.00 0.00 +0.234 C BRANCH 30 31 ATOM 31 C LIG 1 -5.557 1.066 0.181 0.00 0.00 +0.029 C ATOM 32 C LIG 1 -6.239 0.647 -1.134 0.00 0.00 +0.022 C ATOM 33 C LIG 1 -7.726 0.386 -0.918 0.00 0.00 +0.081 C ATOM 34 N LIG 1 -7.979 -0.717 0.011 0.00 0.00 -0.316 NA ATOM 35 H LIG 1 -8.872 -0.562 0.478 0.00 0.00 +0.122 HD ATOM 36 C LIG 1 -6.921 -0.923 1.001 0.00 0.00 +0.081 C ATOM 37 C LIG 1 -6.203 0.366 1.392 0.00 0.00 +0.022 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 4 29 TORSDOF 7