REMARK Name = BDB037433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.935 -2.135 -1.645 0.00 0.00 -0.254 N ATOM 2 C LIG 1 0.260 -1.472 -1.333 0.00 0.00 +0.135 A ATOM 3 C LIG 1 0.348 -0.177 -0.844 0.00 0.00 +0.027 A ATOM 4 C LIG 1 1.744 0.118 -0.834 0.00 0.00 +0.086 A ATOM 5 N LIG 1 2.432 -0.885 -1.402 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 -0.877 0.593 -0.451 0.00 0.00 +0.083 C ATOM 7 C LIG 1 -2.109 0.043 -1.198 0.00 0.00 +0.172 C ATOM 8 N LIG 1 1.574 -1.936 -1.385 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -2.126 -1.503 -1.257 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -3.186 -2.123 -1.088 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.629 2.066 -0.748 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.705 3.000 0.301 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.488 4.360 0.063 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.207 4.794 -1.224 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.004 6.098 -1.452 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.138 3.895 -2.281 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.352 2.536 -2.047 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 2.118 -3.246 -1.262 0.00 0.00 +0.067 A ATOM 19 C LIG 1 3.403 -3.501 -1.764 0.00 0.00 +0.028 A ATOM 20 C LIG 1 3.968 -4.770 -1.636 0.00 0.00 +0.002 A ATOM 21 C LIG 1 3.267 -5.782 -0.983 0.00 0.00 +0.000 A ATOM 22 C LIG 1 2.006 -5.522 -0.444 0.00 0.00 +0.002 A ATOM 23 C LIG 1 1.436 -4.255 -0.572 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 -3.388 0.476 -0.609 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -3.936 -0.272 -0.193 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -4.077 1.546 -1.141 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -3.625 2.265 -2.026 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.454 1.789 -0.623 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.880 1.329 0.630 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -7.180 1.614 1.086 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -8.048 2.357 0.272 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -7.627 2.811 -0.975 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.332 2.536 -1.419 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -7.635 1.106 2.433 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -8.787 1.689 2.873 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -6.713 1.316 3.414 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -7.868 -0.235 2.424 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.884 -3.370 -3.596 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.054 -3.432 -2.313 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 2.471 1.355 -0.368 0.00 0.00 +0.165 C BRANCH 40 41 ATOM 41 N LIG 1 3.652 1.006 0.426 0.00 0.00 -0.295 N ATOM 42 C LIG 1 3.457 0.739 1.769 0.00 0.00 +0.240 C ATOM 43 O LIG 1 2.394 0.940 2.359 0.00 0.00 -0.271 OA ATOM 44 C LIG 1 4.908 0.860 -0.304 0.00 0.00 +0.132 C BRANCH 42 45 ATOM 45 C LIG 1 4.614 0.194 2.511 0.00 0.00 +0.074 C ATOM 46 C LIG 1 4.861 0.648 3.747 0.00 0.00 +0.096 C BRANCH 46 47 ATOM 47 C LIG 1 6.022 0.113 4.477 0.00 0.00 +0.332 C ATOM 48 O LIG 1 6.706 -0.828 4.107 0.00 0.00 -0.246 OA BRANCH 47 49 ATOM 49 O LIG 1 6.215 0.870 5.585 0.00 0.00 -0.465 OA ATOM 50 C LIG 1 7.351 0.476 6.358 0.00 0.00 +0.280 C ENDBRANCH 47 49 ENDBRANCH 46 47 ENDBRANCH 42 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 11