REMARK Name = BDB033551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.075 0.207 0.513 0.00 0.00 -0.320 N ATOM 2 C LIG 1 1.180 0.151 -0.120 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.115 -0.958 -0.953 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.188 -1.299 -1.788 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.348 -0.518 -1.758 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.419 0.586 -0.906 0.00 0.00 +0.011 A ATOM 7 N LIG 1 -0.065 -1.602 -0.799 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.345 0.938 -0.076 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.748 -0.964 0.138 0.00 0.00 +0.132 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -1.048 3.461 2.912 0.00 0.00 +0.069 C ATOM 11 C LIG 1 -0.636 3.906 1.501 0.00 0.00 +0.037 C ATOM 12 C LIG 1 -0.375 2.692 0.600 0.00 0.00 +0.031 C ATOM 13 C LIG 1 -0.490 1.339 1.380 0.00 0.00 +0.048 C ATOM 14 C LIG 1 -1.963 1.333 1.887 0.00 0.00 +0.031 C ATOM 15 C LIG 1 0.382 1.381 2.670 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -2.278 2.552 2.763 0.00 0.00 +0.037 C ATOM 17 C LIG 1 0.083 2.619 3.527 0.00 0.00 +0.037 C BRANCH 10 19 ATOM 18 C LIG 1 -0.510 5.585 3.955 0.00 0.00 +0.194 C ATOM 19 O LIG 1 -1.448 4.537 3.756 0.00 0.00 -0.377 OA ENDBRANCH 10 19 ENDBRANCH 1 13 BRANCH 9 20 ATOM 20 C LIG 1 -2.064 -1.524 0.666 0.00 0.00 +0.148 C ATOM 21 N LIG 1 -2.696 -2.396 -0.365 0.00 0.00 -0.261 N ATOM 22 C LIG 1 -2.498 -3.788 -0.364 0.00 0.00 +0.224 C ATOM 23 O LIG 1 -2.879 -4.562 -1.237 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -1.891 -4.417 0.842 0.00 0.00 +0.079 C ATOM 25 C LIG 1 -1.520 -3.618 2.049 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -0.436 -4.217 1.192 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -1.899 -2.180 2.049 0.00 0.00 +0.035 C BRANCH 21 28 ATOM 28 C LIG 1 -3.243 -1.739 -1.533 0.00 0.00 +0.040 A ATOM 29 C LIG 1 -3.978 -0.550 -1.414 0.00 0.00 +0.064 A ATOM 30 C LIG 1 -4.477 0.093 -2.547 0.00 0.00 +0.160 A ATOM 31 F LIG 1 -5.179 1.225 -2.394 0.00 0.00 -0.202 F ATOM 32 C LIG 1 -4.261 -0.427 -3.814 0.00 0.00 +0.159 A ATOM 33 F LIG 1 -4.741 0.200 -4.897 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -3.543 -1.602 -3.962 0.00 0.00 +0.043 A ATOM 35 C LIG 1 -3.038 -2.251 -2.828 0.00 0.00 +0.026 A ENDBRANCH 21 28 ENDBRANCH 9 20 BRANCH 5 36 ATOM 36 C LIG 1 4.463 -0.854 -2.616 0.00 0.00 +0.047 A ATOM 37 C LIG 1 5.726 -1.187 -2.176 0.00 0.00 +0.142 A ATOM 38 C LIG 1 6.369 -1.320 -0.856 0.00 0.00 +0.090 C ATOM 39 O LIG 1 6.518 -1.450 -3.251 0.00 0.00 -0.359 OA ATOM 40 N LIG 1 5.785 -1.311 -4.414 0.00 0.00 -0.083 NA ATOM 41 C LIG 1 4.551 -0.961 -4.029 0.00 0.00 +0.088 A ATOM 42 C LIG 1 3.494 -0.731 -5.041 0.00 0.00 +0.070 C ENDBRANCH 5 36 TORSDOF 5