REMARK Name = BDB024652 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.254 -0.061 -0.693 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.260 -0.744 0.031 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.607 -1.969 0.793 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.476 -1.637 2.020 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.405 -2.785 1.295 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.302 -2.805 0.263 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.884 -1.383 0.026 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.528 -1.025 -0.126 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.417 -1.825 -0.068 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.616 -1.039 -0.279 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.210 0.274 -0.454 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.169 0.296 -0.374 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.129 1.305 -0.486 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.474 0.939 -0.344 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.873 -0.382 -0.096 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.091 0.932 -1.393 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.090 1.420 -0.672 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.907 2.054 -2.058 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -1.879 3.212 -2.275 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -1.786 4.260 -1.159 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -1.986 3.607 0.213 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -1.006 2.462 0.454 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -2.811 5.246 -1.301 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -2.532 6.219 -2.300 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.523 -0.020 -1.319 0.00 0.00 +0.282 C ATOM 26 O LIG 1 7.480 -0.657 -0.580 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.035 -1.523 -0.305 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.711 -1.365 1.067 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.229 -1.449 0.981 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.873 -2.530 0.357 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -6.271 -2.590 0.275 0.00 0.00 -0.050 A ATOM 32 C LIG 1 -6.943 -3.770 -0.364 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -7.032 -1.568 0.851 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -6.407 -0.494 1.481 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.015 -0.434 1.547 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -2.150 -2.336 2.088 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -1.779 -2.042 3.215 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -2.131 -3.623 1.687 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -1.721 -4.093 2.443 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 28 36 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8