REMARK Name = BDB024989 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.171 -1.914 0.177 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.383 -0.754 0.281 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.055 0.549 0.470 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.438 1.170 -0.880 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.238 1.492 1.347 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.877 1.739 0.739 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.207 0.448 0.362 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.801 0.432 0.195 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.079 1.467 0.331 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.289 0.997 0.077 0.00 0.00 +0.147 A ATOM 11 N LIG 1 -1.206 -0.367 -0.213 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.133 -0.727 -0.162 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.827 -1.914 -0.392 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.223 -1.895 -0.238 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.939 -0.748 0.138 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.773 -3.071 0.103 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.312 -1.271 -0.550 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.460 -2.430 0.458 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.554 -3.446 0.084 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.471 -3.869 -1.386 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.406 -2.680 -2.341 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.240 -1.757 -2.006 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.946 -2.937 0.429 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.231 -1.767 0.627 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.869 -3.922 0.501 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.519 -4.819 0.337 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.364 -2.772 0.074 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.511 -1.630 0.175 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.569 1.842 0.060 0.00 0.00 +0.145 C ATOM 30 C LIG 1 -3.499 1.480 1.226 0.00 0.00 +0.055 C BRANCH 29 31 ATOM 31 C LIG 1 -2.348 3.370 0.104 0.00 0.00 -0.009 A ATOM 32 C LIG 1 -3.085 4.238 -0.728 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -2.919 5.624 -0.661 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.026 6.178 0.251 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -1.308 5.346 1.104 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.476 3.960 1.038 0.00 0.00 +0.007 A ENDBRANCH 29 31 BRANCH 29 37 ATOM 37 O LIG 1 -3.208 1.519 -1.183 0.00 0.00 -0.376 OA ATOM 38 H LIG 1 -2.613 1.873 -1.869 0.00 0.00 +0.211 HD ENDBRANCH 29 37 ENDBRANCH 10 29 TORSDOF 7