REMARK Name = BDB022863 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.514 0.912 -4.459 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -0.754 1.011 -3.123 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.512 0.451 -1.980 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.835 0.903 -1.825 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -3.210 1.975 -2.301 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -0.757 0.395 -0.720 0.00 0.00 +0.163 C ATOM 7 C LIG 1 0.711 0.076 -0.829 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.339 0.062 -2.053 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.683 -0.230 -2.021 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.366 -0.463 -0.887 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 2.684 -0.416 0.260 0.00 0.00 +0.216 A ATOM 12 N LIG 1 1.373 -0.148 0.330 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 0.585 0.264 -3.321 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.817 0.013 -1.050 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.878 0.343 0.459 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.089 -0.937 1.314 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.043 -1.865 0.700 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -5.394 -2.961 1.597 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -4.626 -2.355 -0.617 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -3.579 -1.480 -1.311 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.892 1.451 0.741 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -6.262 1.194 0.895 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -7.162 2.234 1.141 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -6.708 3.547 1.227 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -5.354 3.823 1.061 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.453 2.784 0.816 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 3.295 -0.647 1.474 0.00 0.00 -0.310 N ATOM 28 H LIG 1 2.642 -0.320 2.177 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 4.691 -0.291 1.715 0.00 0.00 +0.078 C ATOM 30 C LIG 1 5.681 -1.249 1.050 0.00 0.00 +0.056 C ATOM 31 C LIG 1 7.140 -0.852 1.346 0.00 0.00 +0.066 C ATOM 32 C LIG 1 8.072 -1.619 0.396 0.00 0.00 +0.041 C ATOM 33 C LIG 1 7.554 -1.181 2.788 0.00 0.00 +0.041 C ATOM 34 O LIG 1 7.355 0.541 1.066 0.00 0.00 -0.374 OA ATOM 35 C LIG 1 6.473 1.448 1.722 0.00 0.00 +0.162 C ATOM 36 C LIG 1 5.019 1.162 1.381 0.00 0.00 +0.050 C ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 4