REMARK Name = BDB064464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.248 -1.852 -0.391 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -1.925 -2.405 1.022 0.00 0.00 +0.260 C ATOM 3 O LIG 1 -2.180 -3.566 1.357 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -1.360 -1.571 1.950 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -0.971 -2.069 2.740 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -1.196 -0.184 1.864 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -1.995 0.663 1.083 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -1.680 2.033 1.010 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -0.631 2.564 1.760 0.00 0.00 +0.001 A ATOM 10 C LIG 1 0.108 1.734 2.595 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -3.235 0.192 0.385 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -0.175 0.369 2.649 0.00 0.00 +0.024 A ATOM 13 N LIG 1 -3.346 -0.896 -0.300 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -4.463 1.048 0.471 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.285 1.178 -0.654 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -6.434 1.967 -0.594 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.772 2.618 0.593 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.968 2.474 1.723 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -4.816 1.686 1.668 0.00 0.00 +0.010 A ENDBRANCH 11 14 BRANCH 1 21 ATOM 20 C LIG 1 -0.083 -1.963 -1.521 0.00 0.00 +0.246 C ATOM 21 N LIG 1 -1.169 -1.228 -1.116 0.00 0.00 -0.282 N ATOM 22 H LIG 1 -1.424 -0.405 -1.638 0.00 0.00 +0.151 HD ATOM 23 O LIG 1 0.199 -3.075 -1.100 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 2.152 -1.100 -2.297 0.00 0.00 -0.021 A ATOM 25 C LIG 1 0.779 -1.301 -2.528 0.00 0.00 +0.041 A ATOM 26 C LIG 1 0.191 -0.912 -3.743 0.00 0.00 +0.013 A ATOM 27 C LIG 1 0.968 -0.322 -4.739 0.00 0.00 +0.001 A ATOM 28 C LIG 1 2.330 -0.129 -4.531 0.00 0.00 +0.000 A ATOM 29 C LIG 1 2.918 -0.521 -3.326 0.00 0.00 +0.005 A BRANCH 24 30 ATOM 30 C LIG 1 2.833 -1.517 -1.003 0.00 0.00 +0.120 C BRANCH 30 33 ATOM 31 C LIG 1 4.960 -2.360 0.753 0.00 0.00 +0.026 C ATOM 32 C LIG 1 4.492 -0.901 0.760 0.00 0.00 +0.080 C ATOM 33 N LIG 1 3.697 -0.465 -0.423 0.00 0.00 -0.291 NA ATOM 34 C LIG 1 2.892 0.738 -0.085 0.00 0.00 +0.113 C ATOM 35 C LIG 1 3.503 1.563 1.054 0.00 0.00 +0.175 C ATOM 36 O LIG 1 3.542 0.832 2.287 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 3.785 -0.571 2.097 0.00 0.00 +0.178 C ENDBRANCH 30 33 ENDBRANCH 24 30 ENDBRANCH 20 25 ENDBRANCH 1 21 TORSDOF 5