REMARK Name = BDB016707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.207 1.434 -1.587 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.760 2.767 -1.544 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.401 3.016 -1.317 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.456 2.010 -1.154 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.218 2.699 -0.955 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.397 4.029 -0.952 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.898 0.675 -1.203 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.704 4.186 -1.202 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.068 5.129 -1.269 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.258 0.411 -1.429 0.00 0.00 +0.005 A ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 -8.326 -2.839 -0.316 0.00 0.00 +0.138 C ATOM 12 N LIG 1 -7.518 -1.652 -0.266 0.00 0.00 -0.273 N ATOM 13 C LIG 1 -6.688 -1.307 0.820 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -6.062 -0.077 0.549 0.00 0.00 -0.010 A ATOM 15 C LIG 1 -5.214 0.475 1.500 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -4.991 -0.218 2.695 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.618 -1.450 2.940 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -6.516 0.386 -0.805 0.00 0.00 +0.081 C ATOM 19 C LIG 1 -5.661 1.102 -1.833 0.00 0.00 +0.040 C ATOM 20 C LIG 1 -6.763 1.839 -1.099 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.482 -2.007 1.996 0.00 0.00 +0.024 A ATOM 22 C LIG 1 -7.481 -0.685 -1.264 0.00 0.00 +0.231 C ATOM 23 O LIG 1 -8.088 -0.656 -2.322 0.00 0.00 -0.274 OA ENDBRANCH 1 19 BRANCH 5 24 ATOM 24 C LIG 1 1.081 2.132 -0.743 0.00 0.00 +0.031 C ATOM 25 C LIG 1 1.543 0.975 -1.246 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 2.896 0.458 -1.001 0.00 0.00 -0.025 A ATOM 27 C LIG 1 3.071 -0.919 -0.819 0.00 0.00 +0.008 A ATOM 28 C LIG 1 4.347 -1.452 -0.610 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.474 -0.621 -0.586 0.00 0.00 -0.033 A ATOM 30 C LIG 1 5.301 0.754 -0.790 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.024 1.287 -0.999 0.00 0.00 +0.008 A BRANCH 29 32 ATOM 32 C LIG 1 6.857 -1.202 -0.374 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 6.972 -2.003 0.856 0.00 0.00 -0.294 NA ATOM 34 C LIG 1 6.855 -1.188 2.087 0.00 0.00 +0.113 C ATOM 35 C LIG 1 8.089 -0.321 2.387 0.00 0.00 +0.175 C ATOM 36 O LIG 1 9.283 -1.111 2.443 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 9.472 -1.837 1.223 0.00 0.00 +0.175 C ATOM 38 C LIG 1 8.260 -2.729 0.906 0.00 0.00 +0.113 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5