REMARK Name = BDB025027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.339 -1.869 -2.291 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.941 -1.967 -2.281 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.374 -3.106 -3.018 0.00 0.00 +0.082 C ATOM 4 C LIG 1 3.117 -4.299 -2.092 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.147 -2.676 -3.816 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.079 -2.114 -2.902 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.638 -1.153 -1.889 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.756 -0.305 -1.180 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.603 -0.185 -1.312 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -0.991 0.699 -0.406 0.00 0.00 +0.146 A ATOM 11 N LIG 1 0.103 1.219 0.265 0.00 0.00 -0.322 N ATOM 12 C LIG 1 1.227 0.553 -0.196 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.578 0.606 0.143 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.451 -0.240 -0.558 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.023 -1.101 -1.582 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.078 -2.781 -2.659 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.139 2.305 1.242 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.212 3.667 0.630 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -0.023 4.812 1.633 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -0.363 4.432 3.083 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.276 3.212 3.166 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.618 1.987 2.541 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -0.805 6.015 1.158 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.357 6.938 0.497 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.113 5.965 1.468 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.491 6.776 1.064 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.240 -0.513 -2.038 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.823 -0.643 -1.940 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.432 1.101 -0.228 0.00 0.00 +0.228 C BRANCH 29 30 ATOM 30 C LIG 1 -3.271 0.053 0.490 0.00 0.00 +0.078 A ATOM 31 N LIG 1 -3.763 0.383 1.715 0.00 0.00 -0.256 NA ATOM 32 C LIG 1 -4.512 -0.547 2.353 0.00 0.00 +0.119 A ATOM 33 C LIG 1 -4.810 -1.815 1.849 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.298 -2.138 0.582 0.00 0.00 -0.015 A ATOM 35 C LIG 1 -4.571 -3.403 0.036 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -5.343 -4.331 0.738 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -5.846 -4.010 1.995 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -5.585 -2.757 2.549 0.00 0.00 +0.010 A ATOM 39 C LIG 1 -3.524 -1.189 -0.098 0.00 0.00 +0.035 A ENDBRANCH 29 30 BRANCH 29 40 ATOM 40 O LIG 1 -2.953 1.333 -1.547 0.00 0.00 -0.378 OA ATOM 41 H LIG 1 -2.377 0.817 -2.147 0.00 0.00 +0.211 HD ENDBRANCH 29 40 ENDBRANCH 10 29 TORSDOF 7