REMARK Name = BDB028869 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.943 2.405 -1.620 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -1.223 1.310 -0.827 0.00 0.00 +0.168 A ATOM 3 N LIG 1 -0.090 1.082 -0.095 0.00 0.00 -0.183 N ATOM 4 C LIG 1 -0.025 0.029 0.832 0.00 0.00 +0.223 A ATOM 5 N LIG 1 -1.070 -0.735 0.970 0.00 0.00 -0.161 NA ATOM 6 C LIG 1 -2.179 -0.454 0.204 0.00 0.00 +0.323 A ATOM 7 N LIG 1 0.932 1.926 -0.365 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -2.307 0.507 -0.663 0.00 0.00 -0.175 NA ATOM 9 C LIG 1 0.400 2.736 -1.287 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -2.096 4.542 -2.242 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -1.852 3.075 -2.605 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -1.319 2.958 -4.035 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 4 13 ATOM 13 N LIG 1 1.140 -0.133 1.540 0.00 0.00 -0.308 N ATOM 14 H LIG 1 1.951 0.391 1.193 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 C LIG 1 1.511 -1.378 2.179 0.00 0.00 +0.160 C BRANCH 15 16 ATOM 16 C LIG 1 2.990 -1.359 2.522 0.00 0.00 +0.059 A ATOM 17 N LIG 1 3.765 -0.450 1.869 0.00 0.00 -0.248 NA ATOM 18 C LIG 1 5.096 -0.385 2.115 0.00 0.00 +0.092 A ATOM 19 C LIG 1 5.690 -1.272 3.042 0.00 0.00 +0.002 A ATOM 20 C LIG 1 7.067 -1.216 3.312 0.00 0.00 +0.010 A ATOM 21 C LIG 1 7.875 -0.283 2.673 0.00 0.00 +0.003 A ATOM 22 C LIG 1 7.310 0.598 1.760 0.00 0.00 +0.025 A ATOM 23 C LIG 1 4.878 -2.213 3.692 0.00 0.00 +0.012 A ATOM 24 C LIG 1 5.933 0.561 1.469 0.00 0.00 +0.056 A ATOM 25 C LIG 1 3.514 -2.262 3.430 0.00 0.00 +0.025 A BRANCH 24 26 ATOM 26 N LIG 1 5.485 1.529 0.515 0.00 0.00 -0.334 N ATOM 27 C LIG 1 4.883 0.901 -0.666 0.00 0.00 +0.129 C ATOM 28 C LIG 1 4.617 2.529 1.146 0.00 0.00 +0.129 C ENDBRANCH 24 26 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 4 13 BRANCH 6 29 ATOM 29 O LIG 1 -3.172 -1.338 0.466 0.00 0.00 -0.459 OA BRANCH 29 30 ATOM 30 C LIG 1 -4.415 -1.199 -0.249 0.00 0.00 +0.179 C ATOM 31 C LIG 1 -4.310 -1.854 -1.626 0.00 0.00 +0.060 C ATOM 32 C LIG 1 -5.672 -1.888 -2.317 0.00 0.00 +0.087 C ATOM 33 N LIG 1 -6.732 -2.517 -1.519 0.00 0.00 -0.305 NA ATOM 34 C LIG 1 -6.595 -3.972 -1.468 0.00 0.00 +0.104 C ATOM 35 C LIG 1 -6.826 -1.921 -0.181 0.00 0.00 +0.087 C ATOM 36 C LIG 1 -5.501 -1.886 0.578 0.00 0.00 +0.060 C ENDBRANCH 29 30 ENDBRANCH 6 29 TORSDOF 7