REMARK Name = BDB004633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.196 -2.065 0.708 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.057 -1.933 0.094 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.173 -2.656 0.550 0.00 0.00 -0.029 A ATOM 4 C LIG 1 1.020 -3.523 1.638 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.225 -3.665 2.249 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.327 -2.941 1.786 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.546 -1.205 0.667 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -2.256 -1.300 0.179 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -2.013 -0.702 -0.600 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.992 -1.717 1.686 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 -6.248 1.258 -0.206 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -6.186 1.271 -1.558 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -5.303 0.466 -2.187 0.00 0.00 +0.113 A ATOM 14 C LIG 1 -4.421 -0.365 -1.531 0.00 0.00 +0.033 A ATOM 15 C LIG 1 -4.455 -0.353 -0.142 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -5.380 0.454 0.526 0.00 0.00 +0.056 A BRANCH 11 18 ATOM 17 C LIG 1 -8.029 1.386 1.403 0.00 0.00 +0.130 C ATOM 18 N LIG 1 -7.166 2.095 0.458 0.00 0.00 -0.321 N ATOM 19 C LIG 1 -7.881 2.997 -0.447 0.00 0.00 +0.130 C ENDBRANCH 11 18 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 2.517 -2.483 -0.121 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 2.982 -1.121 0.113 0.00 0.00 -0.324 N ATOM 22 H LIG 1 2.999 -0.916 1.108 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 4.244 -0.815 -0.442 0.00 0.00 +0.130 A ATOM 24 C LIG 1 4.789 0.472 -0.255 0.00 0.00 +0.041 A ATOM 25 C LIG 1 6.056 0.711 -0.824 0.00 0.00 +0.088 A ATOM 26 C LIG 1 6.625 1.988 -0.635 0.00 0.00 +0.063 A ATOM 27 C LIG 1 5.950 2.993 0.085 0.00 0.00 +0.015 A ATOM 28 C LIG 1 4.698 2.753 0.626 0.00 0.00 +0.002 A ATOM 29 N LIG 1 6.682 -0.262 -1.524 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 6.058 -1.437 -1.664 0.00 0.00 +0.223 A ATOM 31 C LIG 1 4.121 1.502 0.456 0.00 0.00 +0.013 A ATOM 32 N LIG 1 4.869 -1.760 -1.159 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 7.966 2.377 -1.176 0.00 0.00 +0.244 C ATOM 34 O LIG 1 8.426 3.501 -1.007 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 8.683 1.448 -1.869 0.00 0.00 -0.325 N ATOM 36 H LIG 1 9.580 1.708 -2.253 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 8.307 0.520 -2.039 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 7