REMARK Name = BDB032767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.733 -1.834 0.631 0.00 0.00 +0.269 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.012 -1.593 -0.133 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -3.085 -0.919 0.468 0.00 0.00 +0.020 A ATOM 4 C LIG 1 -4.227 -0.727 -0.288 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -5.482 -0.067 0.087 0.00 0.00 +0.248 C ATOM 6 N LIG 1 -6.333 -0.180 -0.998 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -5.680 -0.783 -2.150 0.00 0.00 +0.144 C ATOM 8 O LIG 1 -5.683 0.486 1.150 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -4.344 -1.163 -1.607 0.00 0.00 -0.018 A ATOM 10 C LIG 1 -3.296 -1.826 -2.217 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -2.130 -2.041 -1.472 0.00 0.00 +0.007 A BRANCH 6 12 ATOM 12 C LIG 1 -7.663 0.409 -1.100 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -7.575 1.935 -1.046 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -6.981 2.590 -1.904 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -8.146 2.554 0.036 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -8.061 3.560 0.063 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -8.699 1.983 1.152 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -9.130 2.685 2.064 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -8.733 0.477 1.219 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -8.709 -0.171 -0.153 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 0.296 -1.048 0.021 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 2.405 -0.432 -0.097 0.00 0.00 -0.250 N ATOM 23 H LIG 1 1.969 0.144 -0.805 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 1.529 -1.252 0.552 0.00 0.00 +0.405 C ATOM 25 O LIG 1 1.763 -2.044 1.452 0.00 0.00 -0.226 OA BRANCH 22 29 ATOM 26 C LIG 1 6.526 0.087 0.318 0.00 0.00 +0.071 A ATOM 27 N LIG 1 5.837 0.812 -0.594 0.00 0.00 -0.253 NA ATOM 28 C LIG 1 4.502 0.598 -0.678 0.00 0.00 +0.134 A ATOM 29 C LIG 1 3.791 -0.310 0.102 0.00 0.00 +0.055 A ATOM 30 C LIG 1 4.518 -1.041 1.033 0.00 0.00 +0.027 A ATOM 31 C LIG 1 5.898 -0.844 1.143 0.00 0.00 +0.030 A BRANCH 26 34 ATOM 32 C LIG 1 7.657 2.808 0.896 0.00 0.00 +0.044 C ATOM 33 C LIG 1 8.529 1.602 0.658 0.00 0.00 -0.041 A ATOM 34 C LIG 1 7.978 0.328 0.380 0.00 0.00 +0.003 A ATOM 35 C LIG 1 8.864 -0.747 0.157 0.00 0.00 +0.010 A ATOM 36 C LIG 1 10.249 -0.571 0.202 0.00 0.00 +0.001 A ATOM 37 C LIG 1 10.778 0.686 0.469 0.00 0.00 +0.000 A ATOM 38 C LIG 1 9.926 1.766 0.690 0.00 0.00 +0.004 A ENDBRANCH 26 34 ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 6