REMARK Name = BDB009261 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.990 -0.010 1.070 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.568 -0.282 -0.177 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.599 -1.225 -0.291 0.00 0.00 -0.041 A ATOM 4 C LIG 1 -3.019 -1.909 0.859 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.464 -1.613 2.108 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.461 -0.652 2.219 0.00 0.00 +0.013 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 1.214 0.788 1.868 0.00 0.00 -0.311 N ATOM 8 H LIG 1 1.867 1.558 1.776 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 0.071 1.019 1.141 0.00 0.00 +0.244 C ATOM 10 O LIG 1 -0.066 2.072 0.523 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 1.824 -0.508 2.143 0.00 0.00 +0.109 C BRANCH 11 12 ATOM 12 C LIG 1 2.484 -1.136 0.909 0.00 0.00 +0.054 C BRANCH 12 17 ATOM 13 C LIG 1 6.013 0.253 0.532 0.00 0.00 +0.162 A ATOM 14 C LIG 1 5.845 1.237 -0.453 0.00 0.00 +0.162 A ATOM 15 C LIG 1 4.582 1.398 -1.029 0.00 0.00 +0.049 A ATOM 16 C LIG 1 3.502 0.617 -0.602 0.00 0.00 +0.007 A ATOM 17 C LIG 1 3.663 -0.336 0.410 0.00 0.00 -0.042 A ATOM 18 C LIG 1 4.929 -0.507 0.980 0.00 0.00 +0.053 A BRANCH 14 19 ATOM 19 O LIG 1 6.949 1.977 -0.787 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 6.714 3.205 -1.470 0.00 0.00 +0.277 C ENDBRANCH 14 19 BRANCH 13 21 ATOM 21 O LIG 1 7.211 0.041 1.170 0.00 0.00 -0.489 OA BRANCH 21 23 ATOM 22 C LIG 1 9.254 -1.188 1.170 0.00 0.00 +0.048 C ATOM 23 C LIG 1 8.144 -0.616 0.304 0.00 0.00 +0.226 C ENDBRANCH 21 23 ENDBRANCH 13 21 ENDBRANCH 12 17 ENDBRANCH 11 12 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 C LIG 1 -3.215 -1.509 -1.642 0.00 0.00 +0.092 C BRANCH 24 25 ATOM 25 C LIG 1 -4.740 -1.580 -1.623 0.00 0.00 +0.069 A ATOM 26 C LIG 1 -5.539 -0.340 -1.368 0.00 0.00 -0.016 A ATOM 27 C LIG 1 -4.870 0.997 -1.217 0.00 0.00 +0.037 C ATOM 28 C LIG 1 -5.847 2.178 -1.285 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -7.101 1.893 -0.466 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -7.816 0.644 -0.985 0.00 0.00 +0.041 C ATOM 31 C LIG 1 -6.873 -0.489 -1.287 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -7.488 -1.823 -1.497 0.00 0.00 +0.268 A ATOM 33 O LIG 1 -8.702 -1.993 -1.440 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -6.621 -2.845 -1.770 0.00 0.00 -0.243 N ATOM 35 H LIG 1 -7.022 -3.764 -1.922 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 -5.266 -2.753 -1.819 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 9