REMARK Name = BDB031081 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.030 -0.085 2.563 0.00 0.00 +0.133 A ATOM 2 C LIG 1 -1.231 0.365 1.392 0.00 0.00 +0.043 A ATOM 3 C LIG 1 0.093 0.562 1.586 0.00 0.00 +0.105 A ATOM 4 N LIG 1 0.687 0.323 2.825 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -0.044 -0.100 3.929 0.00 0.00 +0.142 A ATOM 6 N LIG 1 0.707 -0.231 4.999 0.00 0.00 -0.235 NA ATOM 7 C LIG 1 1.968 0.099 4.586 0.00 0.00 +0.141 A ATOM 8 C LIG 1 2.006 0.446 3.245 0.00 0.00 +0.091 A ATOM 9 C LIG 1 -1.440 -0.303 3.760 0.00 0.00 +0.093 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 3.142 0.851 2.426 0.00 0.00 +0.091 A ATOM 11 N LIG 1 3.092 0.459 1.133 0.00 0.00 -0.231 NA ATOM 12 C LIG 1 4.126 0.773 0.332 0.00 0.00 +0.120 A ATOM 13 C LIG 1 5.220 1.500 0.781 0.00 0.00 +0.043 A ATOM 14 C LIG 1 5.264 1.895 2.114 0.00 0.00 +0.005 A ATOM 15 C LIG 1 4.211 1.561 2.956 0.00 0.00 +0.030 A BRANCH 12 16 ATOM 16 N LIG 1 3.988 0.348 -0.984 0.00 0.00 -0.319 N ATOM 17 H LIG 1 3.108 -0.169 -0.989 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 5.111 -0.441 -1.543 0.00 0.00 +0.156 C ATOM 19 C LIG 1 5.341 -1.820 -0.917 0.00 0.00 +0.280 C ATOM 20 F LIG 1 5.248 -1.836 0.425 0.00 0.00 -0.202 F ATOM 21 F LIG 1 6.594 -2.251 -1.227 0.00 0.00 -0.202 F ATOM 22 C LIG 1 4.302 -2.717 -1.588 0.00 0.00 +0.158 C ATOM 23 N LIG 1 3.873 -2.058 -2.850 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 2.908 -1.739 -2.742 0.00 0.00 +0.122 HD ATOM 25 C LIG 1 4.752 -0.872 -2.976 0.00 0.00 +0.109 C ENDBRANCH 16 18 ENDBRANCH 12 16 ENDBRANCH 8 10 BRANCH 2 26 ATOM 26 C LIG 1 -1.808 0.586 0.096 0.00 0.00 +0.024 A ATOM 27 C LIG 1 -2.694 -0.232 -0.568 0.00 0.00 +0.117 A ATOM 28 N LIG 1 -2.957 0.377 -1.762 0.00 0.00 -0.268 N ATOM 29 N LIG 1 -2.265 1.522 -1.942 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 -1.576 1.650 -0.803 0.00 0.00 +0.143 A BRANCH 28 31 ATOM 31 C LIG 1 -3.825 -0.112 -2.818 0.00 0.00 +0.177 C BRANCH 31 32 ATOM 32 C LIG 1 -5.325 0.153 -2.584 0.00 0.00 +0.080 C ATOM 33 C LIG 1 -6.099 -0.200 -3.861 0.00 0.00 +0.043 C ATOM 34 C LIG 1 -5.626 1.600 -2.182 0.00 0.00 +0.043 C BRANCH 32 35 ATOM 35 O LIG 1 -5.805 -0.727 -1.557 0.00 0.00 -0.387 OA ATOM 36 H LIG 1 -6.714 -0.461 -1.332 0.00 0.00 +0.210 HD ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 2 26 BRANCH 1 38 ATOM 37 C LIG 1 -4.231 -0.639 3.363 0.00 0.00 +0.277 C ATOM 38 O LIG 1 -3.380 -0.217 2.307 0.00 0.00 -0.494 OA ENDBRANCH 1 38 TORSDOF 8