REMARK Name = BDB024887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.713 -1.599 0.490 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.511 -1.967 -0.131 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.465 -3.332 -0.676 0.00 0.00 +0.082 C ATOM 4 C LIG 1 3.842 -4.312 0.323 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.792 -3.347 -2.045 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.378 -2.817 -1.955 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.291 -1.556 -1.139 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.127 -0.758 -1.229 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.013 -0.965 -2.002 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -0.821 0.019 -1.714 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.238 0.918 -0.836 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.986 0.392 -0.461 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.966 0.776 0.454 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.116 -0.022 0.547 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.320 -1.162 -0.245 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.585 -2.406 0.803 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.829 2.182 -0.390 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.296 2.119 1.075 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.928 3.430 1.556 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.060 4.652 1.230 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.576 4.701 -0.219 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.080 3.394 -0.654 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.331 3.596 0.992 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.570 3.858 -0.177 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.320 3.410 1.900 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.038 3.121 2.792 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.151 0.120 1.186 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.882 -0.257 0.647 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.223 0.111 -2.265 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 -3.293 -0.176 -1.230 0.00 0.00 -0.011 A ATOM 31 C LIG 1 -3.268 -1.369 -0.477 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -4.247 -1.578 0.479 0.00 0.00 -0.002 A ATOM 33 C LIG 1 -4.413 -2.692 1.438 0.00 0.00 +0.080 C ATOM 34 C LIG 1 -5.829 -2.380 1.928 0.00 0.00 +0.234 C ATOM 35 O LIG 1 -6.110 -0.978 1.702 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 -5.236 -0.633 0.701 0.00 0.00 +0.124 A ATOM 37 C LIG 1 -5.296 0.543 -0.016 0.00 0.00 +0.046 A ATOM 38 C LIG 1 -4.325 0.763 -0.999 0.00 0.00 +0.010 A ENDBRANCH 29 30 BRANCH 29 39 ATOM 39 O LIG 1 -2.339 -0.875 -3.298 0.00 0.00 -0.379 OA ATOM 40 H LIG 1 -1.461 -1.298 -3.353 0.00 0.00 +0.211 HD ENDBRANCH 29 39 ENDBRANCH 10 29 TORSDOF 7