REMARK Name = BDB058682 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.784 3.819 0.237 0.00 0.00 +0.068 C ATOM 2 C LIG 1 3.106 2.360 0.229 0.00 0.00 +0.069 C ATOM 3 C LIG 1 2.115 1.287 0.438 0.00 0.00 +0.065 C ATOM 4 C LIG 1 0.815 1.523 0.644 0.00 0.00 +0.061 C ATOM 5 C LIG 1 2.908 0.036 0.327 0.00 0.00 +0.272 C ATOM 6 O LIG 1 2.482 -1.101 0.413 0.00 0.00 -0.268 OA ATOM 7 N LIG 1 4.212 0.510 0.095 0.00 0.00 -0.156 N ATOM 8 N LIG 1 4.310 1.898 0.037 0.00 0.00 -0.177 NA ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 5.393 -0.252 -0.093 0.00 0.00 +0.060 A ATOM 10 C LIG 1 5.387 -1.653 -0.061 0.00 0.00 +0.027 A ATOM 11 C LIG 1 6.568 -2.386 -0.249 0.00 0.00 +0.021 A ATOM 12 C LIG 1 7.778 -1.728 -0.474 0.00 0.00 +0.052 A ATOM 13 C LIG 1 7.802 -0.333 -0.509 0.00 0.00 +0.021 A ATOM 14 C LIG 1 6.620 0.394 -0.321 0.00 0.00 +0.027 A BRANCH 12 15 ATOM 15 C LIG 1 8.985 -2.477 -0.666 0.00 0.00 +0.099 C ATOM 16 N LIG 1 9.962 -3.084 -0.822 0.00 0.00 -0.191 NA ENDBRANCH 12 15 ENDBRANCH 7 9 BRANCH 4 17 ATOM 17 C LIG 1 -0.196 0.549 0.860 0.00 0.00 +0.129 A ATOM 18 O LIG 1 -1.483 0.769 0.419 0.00 0.00 -0.455 OA ATOM 19 C LIG 1 -2.271 -0.274 0.791 0.00 0.00 +0.138 A ATOM 20 C LIG 1 -1.514 -1.200 1.469 0.00 0.00 +0.050 A ATOM 21 C LIG 1 -0.202 -0.667 1.532 0.00 0.00 +0.050 A BRANCH 19 22 ATOM 22 C LIG 1 -3.667 -0.200 0.378 0.00 0.00 +0.048 A ATOM 23 C LIG 1 -4.409 0.987 0.328 0.00 0.00 +0.137 A ATOM 24 C LIG 1 -5.739 1.021 -0.118 0.00 0.00 +0.037 A ATOM 25 C LIG 1 -6.372 -0.161 -0.524 0.00 0.00 -0.045 A ATOM 26 C LIG 1 -7.800 -0.108 -0.997 0.00 0.00 +0.044 C ATOM 27 C LIG 1 -5.660 -1.375 -0.464 0.00 0.00 -0.047 A ATOM 28 C LIG 1 -6.293 -2.674 -0.888 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -4.321 -1.377 -0.020 0.00 0.00 +0.017 A BRANCH 23 30 ATOM 30 N LIG 1 -3.843 2.240 0.791 0.00 0.00 +0.057 N ATOM 31 O LIG 1 -3.705 3.140 -0.050 0.00 0.00 -0.126 OA ATOM 32 O LIG 1 -3.597 2.340 2.001 0.00 0.00 -0.126 OA ENDBRANCH 23 30 ENDBRANCH 19 22 ENDBRANCH 4 17 TORSDOF 5