REMARK Name = BDB032990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.333 0.178 0.562 0.00 0.00 +0.250 C ATOM 2 N LIG 1 1.164 -0.022 -0.514 0.00 0.00 -0.261 N ATOM 3 H LIG 1 0.780 -0.067 -1.448 0.00 0.00 +0.157 HD ATOM 4 O LIG 1 0.625 0.180 1.748 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -1.850 -1.430 1.786 0.00 0.00 +0.044 C ATOM 6 C LIG 1 -2.125 -0.359 0.765 0.00 0.00 -0.036 A ATOM 7 C LIG 1 -1.091 0.402 0.182 0.00 0.00 +0.040 A ATOM 8 C LIG 1 -1.386 1.411 -0.751 0.00 0.00 +0.015 A ATOM 9 C LIG 1 -2.709 1.667 -1.117 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -3.741 0.917 -0.539 0.00 0.00 +0.126 A ATOM 11 C LIG 1 -3.455 -0.087 0.399 0.00 0.00 +0.036 A BRANCH 10 12 ATOM 12 N LIG 1 -5.135 1.187 -0.916 0.00 0.00 +0.056 N ATOM 13 O LIG 1 -5.342 2.081 -1.750 0.00 0.00 -0.126 OA ATOM 14 O LIG 1 -6.020 0.503 -0.384 0.00 0.00 -0.126 OA ENDBRANCH 10 12 ENDBRANCH 1 7 BRANCH 2 15 ATOM 15 C LIG 1 2.517 -0.242 -0.480 0.00 0.00 +0.167 A ATOM 16 S LIG 1 3.430 -0.241 0.961 0.00 0.00 -0.028 S ATOM 17 C LIG 1 4.826 -0.562 0.052 0.00 0.00 +0.185 A ATOM 18 C LIG 1 4.527 -0.648 -1.286 0.00 0.00 +0.153 A ATOM 19 N LIG 1 3.188 -0.460 -1.590 0.00 0.00 -0.231 NA BRANCH 17 20 ATOM 20 N LIG 1 6.110 -0.710 0.656 0.00 0.00 +0.065 N ATOM 21 O LIG 1 7.052 -0.943 -0.114 0.00 0.00 -0.126 OA ATOM 22 O LIG 1 6.199 -0.599 1.885 0.00 0.00 -0.126 OA ENDBRANCH 17 20 ENDBRANCH 2 15 TORSDOF 4