REMARK Name = BDB024506 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.720 -1.635 0.938 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.733 -0.753 1.412 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.142 0.376 2.272 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.539 1.594 1.429 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.090 0.702 3.327 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.773 1.052 2.674 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.382 0.028 1.648 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.027 -0.059 1.250 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.042 0.675 1.694 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.099 0.244 1.030 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.744 -0.777 0.165 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.621 -0.976 0.295 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.525 -1.846 -0.310 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.871 -1.751 0.077 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.332 -0.839 1.042 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.543 -2.662 0.292 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.601 -1.563 -0.720 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.350 -0.738 -1.770 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -3.044 -1.639 -2.797 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.742 -2.863 -2.178 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.863 -2.776 -0.654 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.522 -2.530 0.048 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.036 -4.149 -2.558 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.833 -4.315 -2.662 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.891 -5.172 -2.744 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.316 -5.934 -2.966 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.029 -2.095 0.833 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.983 -1.235 1.288 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.478 0.799 1.242 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -2.813 2.031 0.422 0.00 0.00 -0.037 A ATOM 31 C LIG 1 -1.855 3.002 0.105 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -2.215 4.135 -0.624 0.00 0.00 +0.165 A ATOM 33 F LIG 1 -1.263 5.036 -0.917 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -3.530 4.346 -1.044 0.00 0.00 +0.155 A ATOM 35 C LIG 1 -4.496 3.396 -0.711 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -4.141 2.255 0.021 0.00 0.00 +0.008 A BRANCH 34 37 ATOM 37 O LIG 1 -3.753 5.495 -1.754 0.00 0.00 -0.492 OA ATOM 38 C LIG 1 -5.085 5.749 -2.179 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7