REMARK Name = BDB024517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.955 0.157 -1.315 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.027 -0.581 -0.558 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.409 -1.902 -0.000 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.437 -1.754 1.136 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.241 -2.737 0.549 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.020 -2.594 -0.329 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.642 -1.143 -0.339 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.296 -0.726 -0.272 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.162 -1.488 -0.160 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.853 -0.647 -0.121 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.410 0.659 -0.238 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.972 0.623 -0.318 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.954 1.612 -0.423 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.289 1.190 -0.496 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.653 -0.163 -0.464 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.753 1.235 -1.863 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.197 1.891 -0.262 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.747 2.267 1.122 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.499 3.597 1.087 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.587 3.614 0.010 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.003 3.274 -1.367 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.278 1.928 -1.355 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.267 4.965 -0.018 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.155 5.828 -0.871 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.064 5.160 1.051 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.440 6.054 0.911 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.129 0.208 -2.217 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.157 -0.486 -1.432 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.276 -1.085 0.003 0.00 0.00 +0.097 C BRANCH 29 30 ATOM 30 C LIG 1 -2.397 -2.369 0.821 0.00 0.00 +0.151 C BRANCH 30 31 ATOM 31 N LIG 1 -3.778 -2.801 0.928 0.00 0.00 -0.271 N ATOM 32 N LIG 1 -4.660 -2.054 1.620 0.00 0.00 -0.176 NA ATOM 33 C LIG 1 -5.811 -2.733 1.517 0.00 0.00 +0.060 A ATOM 34 C LIG 1 -7.039 -2.223 2.169 0.00 0.00 +0.067 C ATOM 35 C LIG 1 -5.655 -3.908 0.747 0.00 0.00 +0.044 A ATOM 36 C LIG 1 -4.331 -3.921 0.380 0.00 0.00 +0.108 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7