REMARK Name = BDB038853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 0.577 2.624 -0.075 0.00 0.00 +0.149 A ATOM 2 N LIG 1 1.190 1.787 0.811 0.00 0.00 -0.238 NA ATOM 3 C LIG 1 0.851 0.471 0.809 0.00 0.00 +0.097 A ATOM 4 C LIG 1 -0.138 0.042 -0.085 0.00 0.00 +0.074 A ATOM 5 N LIG 1 -0.706 -1.201 -0.268 0.00 0.00 -0.352 N ATOM 6 H LIG 1 -0.474 -2.024 0.271 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -1.645 -1.175 -1.270 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -1.704 0.134 -1.742 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -2.607 0.436 -2.782 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -3.411 -0.580 -3.311 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -3.328 -1.880 -2.817 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -2.443 -2.204 -1.785 0.00 0.00 +0.026 A ATOM 13 C LIG 1 -0.763 0.904 -0.987 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -0.392 2.255 -0.994 0.00 0.00 +0.045 A ENDROOT BRANCH 3 15 ATOM 15 C LIG 1 1.538 -0.406 1.747 0.00 0.00 +0.020 A ATOM 16 C LIG 1 1.593 -0.105 3.107 0.00 0.00 +0.120 A ATOM 17 N LIG 1 2.202 -0.873 4.043 0.00 0.00 -0.263 NA ATOM 18 C LIG 1 2.811 -1.994 3.607 0.00 0.00 +0.111 A ATOM 19 C LIG 1 2.835 -2.385 2.280 0.00 0.00 +0.020 A ATOM 20 C LIG 1 2.191 -1.578 1.342 0.00 0.00 +0.013 A ENDBRANCH 3 15 BRANCH 1 22 ATOM 21 O LIG 1 0.601 4.949 -0.704 0.00 0.00 -0.243 OA ATOM 22 C LIG 1 1.031 4.045 -0.012 0.00 0.00 +0.355 C BRANCH 22 23 ATOM 23 OXT LIG 1 1.997 4.189 0.929 0.00 0.00 -0.476 OA ATOM 24 HXT LIG 1 2.170 3.310 1.343 0.00 0.00 +0.295 HD ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 3