REMARK Name = BDB025325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.704 -3.791 0.800 0.00 0.00 +0.065 C ATOM 2 C LIG 1 -2.515 -2.318 0.572 0.00 0.00 +0.041 A ATOM 3 N LIG 1 -1.241 -1.891 0.408 0.00 0.00 -0.234 NA ATOM 4 C LIG 1 -1.129 -0.563 0.195 0.00 0.00 +0.143 A ATOM 5 C LIG 1 -2.161 0.363 0.151 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.571 1.643 -0.065 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.184 1.464 -0.154 0.00 0.00 +0.052 A ATOM 8 C LIG 1 0.684 2.551 -0.359 0.00 0.00 +0.026 A ATOM 9 C LIG 1 0.132 3.830 -0.473 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -1.241 4.029 -0.387 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -2.101 2.946 -0.184 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -3.469 -0.118 0.329 0.00 0.00 +0.014 A ATOM 13 N LIG 1 0.054 0.106 -0.011 0.00 0.00 -0.313 N ATOM 14 C LIG 1 -3.634 -1.487 0.539 0.00 0.00 +0.024 A ENDROOT BRANCH 13 15 ATOM 15 C LIG 1 1.354 -0.564 0.013 0.00 0.00 +0.176 C ATOM 16 C LIG 1 2.203 -0.262 -1.213 0.00 0.00 +0.242 C ATOM 17 O LIG 1 1.753 -0.074 -2.341 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 3.568 -0.279 -1.023 0.00 0.00 -0.255 N ATOM 19 H LIG 1 4.127 -0.107 -1.849 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 4.262 -0.653 0.100 0.00 0.00 +0.219 C ATOM 21 O LIG 1 5.485 -0.753 0.086 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 3.436 -1.005 1.313 0.00 0.00 +0.099 C ATOM 23 C LIG 1 2.111 -0.261 1.308 0.00 0.00 +0.044 C ENDBRANCH 13 15 TORSDOF 1