REMARK Name = BDB024882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.861 -2.198 -1.320 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.814 -2.244 -0.383 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.713 -3.413 0.514 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -3.910 -4.543 -0.143 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.183 -3.032 1.892 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.816 -2.398 1.779 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.803 -1.309 0.745 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.779 -0.333 0.794 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.753 -0.215 1.695 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.051 0.843 1.332 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.609 1.434 0.212 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.717 0.682 -0.145 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.654 0.784 -1.172 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.662 -0.192 -1.225 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.768 -1.240 -0.295 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.136 -1.272 -2.075 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.184 2.643 -0.490 0.00 0.00 +0.089 C ATOM 18 C LIG 1 1.236 2.575 -1.059 0.00 0.00 +0.026 C ATOM 19 C LIG 1 1.532 3.772 -1.968 0.00 0.00 +0.017 C ATOM 20 C LIG 1 1.015 5.114 -1.416 0.00 0.00 +0.098 C ATOM 21 C LIG 1 0.586 5.032 0.051 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -0.441 3.926 0.321 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -0.132 5.646 -2.251 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.023 4.991 -2.764 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -0.115 6.988 -2.357 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -0.904 7.201 -2.900 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.692 -3.357 -2.249 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -6.610 -3.345 -1.316 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 1.162 1.313 2.082 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 2.465 0.648 1.681 0.00 0.00 -0.037 A ATOM 31 C LIG 1 2.532 -0.701 1.306 0.00 0.00 +0.046 A ATOM 32 C LIG 1 3.752 -1.293 0.969 0.00 0.00 +0.165 A ATOM 33 F LIG 1 3.726 -2.579 0.592 0.00 0.00 -0.202 F ATOM 34 C LIG 1 4.941 -0.565 1.015 0.00 0.00 +0.156 A ATOM 35 C LIG 1 4.881 0.776 1.406 0.00 0.00 +0.049 A ATOM 36 C LIG 1 3.663 1.375 1.746 0.00 0.00 +0.008 A BRANCH 34 37 ATOM 37 O LIG 1 6.203 -0.991 0.711 0.00 0.00 -0.486 OA BRANCH 37 38 ATOM 38 C LIG 1 6.439 -2.383 0.476 0.00 0.00 +0.167 C ATOM 39 C LIG 1 6.261 -2.696 -1.007 0.00 0.00 +0.051 C ATOM 40 C LIG 1 7.885 -2.655 0.891 0.00 0.00 +0.051 C ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8