REMARK Name = BDB026715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -6.446 -1.238 1.086 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -5.404 -0.783 0.622 0.00 0.00 +0.219 C ATOM 3 N LIG 1 -4.282 -1.551 0.510 0.00 0.00 -0.270 N ATOM 4 H LIG 1 -4.346 -2.530 0.750 0.00 0.00 +0.156 HD ATOM 5 C LIG 1 -3.052 -1.091 0.064 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -2.858 0.279 -0.115 0.00 0.00 -0.006 A ATOM 7 C LIG 1 -1.601 0.717 -0.535 0.00 0.00 +0.021 A ATOM 8 C LIG 1 -0.602 -0.227 -0.761 0.00 0.00 +0.056 A ATOM 9 C LIG 1 -0.897 -1.569 -0.583 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -3.953 1.237 0.247 0.00 0.00 +0.048 C ATOM 11 N LIG 1 -2.098 -2.019 -0.143 0.00 0.00 -0.239 NA ATOM 12 C LIG 1 -5.323 0.611 0.042 0.00 0.00 +0.101 C ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 0.729 0.197 -1.223 0.00 0.00 +0.253 C ATOM 14 N LIG 1 1.780 0.011 -0.347 0.00 0.00 -0.252 N ATOM 15 C LIG 1 3.119 0.291 -0.655 0.00 0.00 +0.131 A ATOM 16 C LIG 1 3.914 0.102 0.469 0.00 0.00 -0.006 A ATOM 17 C LIG 1 5.280 0.313 0.394 0.00 0.00 +0.008 A ATOM 18 C LIG 1 5.804 0.707 -0.833 0.00 0.00 +0.020 A ATOM 19 C LIG 1 4.934 0.871 -1.908 0.00 0.00 +0.113 A ATOM 20 C LIG 1 3.106 -0.285 1.660 0.00 0.00 +0.058 C ATOM 21 N LIG 1 3.599 0.670 -1.844 0.00 0.00 -0.240 NA ATOM 22 C LIG 1 1.710 -0.453 1.049 0.00 0.00 +0.120 C ATOM 23 O LIG 1 0.765 0.706 -2.337 0.00 0.00 -0.270 OA ENDBRANCH 8 13 TORSDOF 1