REMARK Name = BDB025168 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.899 -2.326 -0.423 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.075 -2.168 0.708 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.238 -3.074 1.870 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.527 -2.763 2.652 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.074 -3.045 2.873 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.749 -3.015 2.143 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.719 -1.770 1.306 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.538 -1.018 1.133 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.292 -1.251 1.641 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.492 -0.299 1.166 0.00 0.00 +0.117 A ATOM 11 N LIG 1 0.234 0.600 0.408 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.536 0.126 0.347 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.691 0.577 -0.296 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.852 -0.194 -0.152 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.884 -1.365 0.619 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.764 -1.750 -1.498 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.192 1.858 -0.204 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.446 2.962 0.833 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -0.757 4.299 0.159 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -1.886 4.180 -0.871 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -1.616 3.076 -1.896 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.344 1.740 -1.207 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -2.125 5.514 -1.539 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.053 6.271 -1.306 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.175 5.856 -2.427 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.459 6.737 -2.751 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.648 -3.595 -1.387 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.868 -3.275 -0.234 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.967 -0.272 1.426 0.00 0.00 +0.130 C BRANCH 29 30 ATOM 30 C LIG 1 -2.786 -1.004 0.385 0.00 0.00 +0.052 A ATOM 31 N LIG 1 -3.897 -0.374 -0.074 0.00 0.00 -0.217 NA ATOM 32 C LIG 1 -4.620 -0.997 -1.032 0.00 0.00 +0.215 A ATOM 33 C LIG 1 -4.295 -2.231 -1.570 0.00 0.00 +0.067 A ATOM 34 C LIG 1 -3.182 -2.882 -1.065 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -2.419 -2.264 -0.069 0.00 0.00 +0.024 A BRANCH 32 36 ATOM 36 O LIG 1 -5.706 -0.354 -1.584 0.00 0.00 -0.474 OA BRANCH 36 37 ATOM 37 C LIG 1 -6.398 0.499 -0.669 0.00 0.00 +0.169 C ATOM 38 C LIG 1 -5.917 1.937 -0.814 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -7.874 0.403 -1.035 0.00 0.00 +0.051 C ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8