REMARK Name = BDB027709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.822 -0.382 0.663 0.00 0.00 +0.131 A ATOM 2 C LIG 1 1.126 -0.621 2.015 0.00 0.00 +0.043 A ATOM 3 C LIG 1 2.458 -0.421 2.378 0.00 0.00 +0.095 A ATOM 4 C LIG 1 2.771 -0.664 3.708 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.904 -1.067 4.674 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 0.626 -1.233 4.295 0.00 0.00 +0.111 A ATOM 7 N LIG 1 3.398 -0.016 1.514 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 3.010 0.212 0.251 0.00 0.00 +0.162 A ATOM 9 C LIG 1 0.192 -1.027 2.999 0.00 0.00 +0.033 A ATOM 10 N LIG 1 1.755 0.044 -0.200 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 4.032 0.670 -0.710 0.00 0.00 +0.022 A ATOM 12 C LIG 1 5.362 0.889 -0.318 0.00 0.00 +0.031 A ATOM 13 C LIG 1 6.289 1.318 -1.255 0.00 0.00 +0.111 A ATOM 14 N LIG 1 5.995 1.545 -2.550 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 4.717 1.335 -2.923 0.00 0.00 +0.111 A ATOM 16 C LIG 1 3.722 0.906 -2.058 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -0.495 -0.584 0.221 0.00 0.00 -0.323 N ATOM 18 H LIG 1 -0.762 -1.536 0.463 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -0.950 -0.244 -1.144 0.00 0.00 +0.029 C ATOM 20 C LIG 1 -0.295 -1.174 -2.184 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -0.684 1.229 -1.494 0.00 0.00 +0.031 C BRANCH 19 22 ATOM 22 C LIG 1 -2.487 -0.525 -1.184 0.00 0.00 +0.040 C BRANCH 22 23 ATOM 23 C LIG 1 -3.323 0.342 -0.226 0.00 0.00 +0.086 C BRANCH 23 25 ATOM 24 C LIG 1 -5.528 1.131 0.340 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -4.772 0.075 -0.341 0.00 0.00 -0.308 NA ATOM 26 C LIG 1 -5.139 -1.226 0.222 0.00 0.00 +0.104 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 6