REMARK Name = BDB017728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.859 1.285 -1.111 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -1.750 0.752 -2.043 0.00 0.00 +0.039 A ATOM 3 C LIG 1 -2.979 0.253 -1.606 0.00 0.00 +0.052 A ATOM 4 C LIG 1 -3.354 0.306 -0.252 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -4.680 -0.230 0.139 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -5.108 -0.105 1.460 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -4.746 0.726 1.918 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -6.495 -0.382 1.822 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -6.983 -1.609 1.062 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -6.793 -1.424 -0.447 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.455 -0.824 -0.792 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -5.040 -0.893 -2.219 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -5.746 -1.418 -3.075 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -2.443 0.854 0.666 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -3.839 -0.330 -2.541 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -3.581 -0.380 -3.517 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -1.207 1.353 0.241 0.00 0.00 +0.014 A ENDROOT BRANCH 1 22 ATOM 18 N LIG 1 4.232 0.252 -0.313 0.00 0.00 -0.312 N ATOM 19 C LIG 1 3.041 -0.609 -0.385 0.00 0.00 +0.125 C ATOM 20 C LIG 1 1.731 0.174 -0.156 0.00 0.00 +0.127 C ATOM 21 N LIG 1 1.609 1.365 -1.007 0.00 0.00 -0.295 N ATOM 22 C LIG 1 0.433 1.820 -1.590 0.00 0.00 +0.247 C ATOM 23 O LIG 1 0.405 2.652 -2.493 0.00 0.00 -0.270 OA ATOM 24 C LIG 1 2.867 2.000 -1.412 0.00 0.00 +0.127 C ATOM 25 C LIG 1 4.019 1.704 -0.439 0.00 0.00 +0.125 C BRANCH 18 29 ATOM 26 C LIG 1 7.545 -0.887 1.948 0.00 0.00 +0.070 A ATOM 27 C LIG 1 7.098 0.417 1.854 0.00 0.00 +0.131 A ATOM 28 N LIG 1 6.020 0.796 1.124 0.00 0.00 -0.239 NA ATOM 29 C LIG 1 5.322 -0.145 0.448 0.00 0.00 +0.121 A ATOM 30 C LIG 1 5.731 -1.480 0.487 0.00 0.00 +0.045 A ATOM 31 C LIG 1 6.845 -1.857 1.243 0.00 0.00 +0.024 A BRANCH 26 33 ATOM 32 N LIG 1 9.618 -1.480 3.380 0.00 0.00 -0.191 NA ATOM 33 C LIG 1 8.690 -1.213 2.736 0.00 0.00 +0.101 C ENDBRANCH 26 33 ENDBRANCH 18 29 ENDBRANCH 1 22 TORSDOF 3