REMARK Name = BDB024810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.041 -2.708 -0.687 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.436 -1.446 -0.838 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.368 -0.366 -1.215 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.275 0.013 -0.031 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.671 0.861 -1.796 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.618 1.364 -0.832 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.658 0.254 -0.512 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.322 0.567 -0.171 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.729 1.800 -0.038 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.531 1.573 0.273 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.768 0.218 0.366 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.402 -0.443 0.068 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.738 -1.790 -0.037 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.071 -2.090 -0.356 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.060 -1.108 -0.547 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.162 -2.972 -1.121 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -4.987 -4.859 0.257 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -4.332 -3.606 0.052 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 2.012 -0.413 0.773 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.965 -0.640 -0.385 0.00 0.00 +0.233 C ATOM 21 N LIG 1 4.015 -1.494 -0.192 0.00 0.00 -0.305 N ATOM 22 H LIG 1 4.585 -1.637 -1.020 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 2.867 -0.071 -1.470 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.245 -2.361 0.951 0.00 0.00 +0.200 C BRANCH 24 25 ATOM 25 C LIG 1 5.614 -2.936 0.894 0.00 0.00 +0.212 A ATOM 26 O LIG 1 5.849 -3.866 -0.086 0.00 0.00 -0.446 OA ATOM 27 C LIG 1 7.158 -4.202 0.087 0.00 0.00 +0.217 A ATOM 28 C LIG 1 7.647 -3.473 1.141 0.00 0.00 +0.152 A ATOM 29 N LIG 1 6.660 -2.669 1.651 0.00 0.00 -0.220 NA ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 1.580 2.616 0.489 0.00 0.00 +0.097 C BRANCH 30 31 ATOM 31 C LIG 1 1.042 4.022 0.249 0.00 0.00 +0.151 C BRANCH 31 32 ATOM 32 N LIG 1 2.088 5.021 0.372 0.00 0.00 -0.271 N ATOM 33 N LIG 1 2.686 5.226 1.564 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 3.571 6.192 1.310 0.00 0.00 +0.134 A ATOM 35 C LIG 1 3.550 6.599 -0.036 0.00 0.00 +0.041 A ATOM 36 C LIG 1 2.579 5.820 -0.620 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 8