REMARK Name = BDB021392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.397 -0.090 1.824 0.00 0.00 +0.037 C ATOM 2 C LIG 1 2.359 0.260 0.710 0.00 0.00 -0.030 A ATOM 3 C LIG 1 1.867 0.662 -0.541 0.00 0.00 +0.040 A ATOM 4 C LIG 1 2.755 0.963 -1.579 0.00 0.00 +0.014 A ATOM 5 C LIG 1 4.135 0.871 -1.376 0.00 0.00 +0.012 A ATOM 6 C LIG 1 4.646 0.465 -0.137 0.00 0.00 +0.019 A ATOM 7 C LIG 1 0.401 0.796 -0.776 0.00 0.00 +0.247 C ATOM 8 O LIG 1 -0.026 0.948 -1.916 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.424 0.747 0.345 0.00 0.00 -0.294 N ATOM 10 C LIG 1 3.747 0.179 0.904 0.00 0.00 +0.016 A ATOM 11 C LIG 1 0.149 0.798 1.686 0.00 0.00 +0.116 C ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 6.082 0.365 0.120 0.00 0.00 +0.159 A ATOM 13 N LIG 1 7.029 -0.227 -0.691 0.00 0.00 -0.242 N ATOM 14 N LIG 1 8.255 -0.168 -0.142 0.00 0.00 -0.158 NA ATOM 15 C LIG 1 7.999 0.456 1.006 0.00 0.00 +0.245 A ATOM 16 N LIG 1 6.691 0.782 1.218 0.00 0.00 -0.215 NA BRANCH 13 17 ATOM 17 C LIG 1 6.768 -0.968 -1.950 0.00 0.00 +0.110 C ATOM 18 C LIG 1 6.949 -0.325 -3.307 0.00 0.00 +0.029 C ATOM 19 C LIG 1 7.878 -1.419 -2.875 0.00 0.00 +0.029 C ENDBRANCH 13 17 ENDBRANCH 6 12 BRANCH 1 21 ATOM 20 C LIG 1 2.143 -2.519 2.209 0.00 0.00 +0.004 C ATOM 21 C LIG 1 1.007 -1.584 1.812 0.00 0.00 +0.006 C ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 -1.845 1.080 0.177 0.00 0.00 +0.141 C BRANCH 22 23 ATOM 23 C LIG 1 -2.662 -0.129 -0.314 0.00 0.00 +0.149 C BRANCH 23 24 ATOM 24 C LIG 1 -4.132 0.244 -0.644 0.00 0.00 +0.088 C ATOM 25 N LIG 1 -4.813 -0.949 -1.201 0.00 0.00 -0.307 NA ATOM 26 H LIG 1 -4.890 -1.637 -0.448 0.00 0.00 +0.123 HD ATOM 27 C LIG 1 -6.152 -0.604 -1.680 0.00 0.00 +0.117 C ATOM 28 C LIG 1 -6.989 0.150 -0.675 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -6.388 0.843 0.388 0.00 0.00 -0.041 A ATOM 30 C LIG 1 -7.185 1.559 1.292 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -8.569 1.608 1.125 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -9.166 0.939 0.060 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.380 0.216 -0.838 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -4.894 0.766 0.596 0.00 0.00 +0.056 C ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 O LIG 1 -2.629 -1.149 0.703 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 -1.712 -1.477 0.697 0.00 0.00 +0.210 HD ENDBRANCH 23 35 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7