REMARK Name = BDB064476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.076 0.225 -0.382 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -0.486 -0.763 0.661 0.00 0.00 +0.260 C ATOM 3 O LIG 1 0.691 -0.751 1.033 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -1.326 -1.734 1.151 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -0.833 -2.482 1.623 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -2.697 -1.871 0.884 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.556 -0.804 0.573 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -4.896 -1.069 0.236 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -5.389 -2.373 0.265 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -4.554 -3.421 0.643 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -3.126 0.623 0.705 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -3.217 -3.170 0.957 0.00 0.00 +0.024 A ATOM 13 N LIG 1 -2.003 1.115 0.296 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -4.082 1.535 1.419 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -4.304 2.741 0.870 0.00 0.00 +0.080 A ATOM 16 C LIG 1 -5.242 3.679 1.531 0.00 0.00 +0.249 A ATOM 17 O LIG 1 -5.487 4.779 1.050 0.00 0.00 -0.268 OA ATOM 18 N LIG 1 -5.818 3.234 2.696 0.00 0.00 -0.329 N ATOM 19 H LIG 1 -6.451 3.885 3.147 0.00 0.00 +0.168 HD ATOM 20 C LIG 1 -5.564 2.012 3.262 0.00 0.00 +0.086 A ATOM 21 C LIG 1 -4.720 1.159 2.667 0.00 0.00 +0.028 A ENDBRANCH 11 14 BRANCH 1 24 ATOM 22 O LIG 1 0.554 -0.412 -2.568 0.00 0.00 -0.270 OA ATOM 23 C LIG 1 0.774 0.603 -1.919 0.00 0.00 +0.246 C ATOM 24 N LIG 1 -0.035 1.064 -0.908 0.00 0.00 -0.282 N ATOM 25 H LIG 1 0.331 1.750 -0.265 0.00 0.00 +0.151 HD BRANCH 23 26 ATOM 26 C LIG 1 1.987 1.419 -2.163 0.00 0.00 +0.041 A ATOM 27 C LIG 1 3.271 0.843 -2.176 0.00 0.00 -0.021 A ATOM 28 C LIG 1 4.368 1.683 -2.448 0.00 0.00 +0.005 A ATOM 29 C LIG 1 4.195 3.050 -2.674 0.00 0.00 +0.000 A ATOM 30 C LIG 1 2.920 3.607 -2.644 0.00 0.00 +0.001 A ATOM 31 C LIG 1 1.816 2.795 -2.391 0.00 0.00 +0.013 A BRANCH 27 32 ATOM 32 C LIG 1 3.512 -0.636 -1.935 0.00 0.00 +0.120 C BRANCH 32 33 ATOM 33 N LIG 1 4.589 -0.891 -0.956 0.00 0.00 -0.294 NA ATOM 34 C LIG 1 4.156 -0.600 0.433 0.00 0.00 +0.113 C ATOM 35 C LIG 1 3.753 -1.854 1.225 0.00 0.00 +0.175 C ATOM 36 O LIG 1 4.817 -2.812 1.338 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 5.723 -2.774 0.227 0.00 0.00 +0.175 C ATOM 38 C LIG 1 5.053 -2.291 -1.067 0.00 0.00 +0.113 C ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 23 26 ENDBRANCH 1 24 TORSDOF 5