REMARK Name = BDB024599 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.779 0.135 -0.163 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.613 0.831 -0.537 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.860 2.044 -1.340 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.304 1.675 -2.766 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.679 3.010 -1.357 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.431 2.295 -1.826 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.182 1.095 -0.957 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.856 0.637 -0.771 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.301 1.115 -1.325 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.286 0.380 -0.841 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.791 -0.589 0.016 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.585 -0.426 0.075 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.599 -1.075 0.776 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.914 -0.629 0.571 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.246 0.410 -0.315 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.904 0.631 -0.222 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.514 -1.643 0.724 0.00 0.00 +0.092 C ATOM 18 C LIG 1 -2.018 -2.755 -0.213 0.00 0.00 +0.043 C ATOM 19 C LIG 1 -3.154 -3.593 0.398 0.00 0.00 +0.052 C ATOM 20 C LIG 1 -4.541 -3.184 -0.107 0.00 0.00 +0.024 C ATOM 21 N LIG 1 -3.067 -3.609 1.856 0.00 0.00 -0.313 NA ATOM 22 H LIG 1 -3.762 -4.242 2.252 0.00 0.00 +0.122 HD ATOM 23 C LIG 1 -3.173 -2.299 2.498 0.00 0.00 +0.083 C ATOM 24 C LIG 1 -2.601 -1.144 1.674 0.00 0.00 +0.040 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.786 -1.877 0.511 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.589 -1.164 0.197 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.724 0.593 -1.221 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 -3.477 1.603 -0.375 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -4.856 1.436 -0.168 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -5.584 2.361 0.584 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.947 3.475 1.124 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.586 3.670 0.905 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.857 2.745 0.153 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 4