REMARK Name = BDB031918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.774 1.042 -2.458 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.313 -0.268 -2.226 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.051 -0.444 -1.647 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.217 0.611 -1.304 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.952 -0.002 -0.751 0.00 0.00 +0.152 A ATOM 6 N LIG 1 0.844 -1.334 -0.756 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.659 1.923 -1.555 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.363 -1.568 -1.292 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.664 -2.531 -1.391 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.926 2.114 -2.130 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.195 -0.433 1.257 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.838 0.356 0.153 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.526 0.208 -1.043 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.418 0.871 -2.387 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.132 1.276 -3.079 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.530 0.242 -3.195 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.151 -0.686 -2.378 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.936 -1.240 -2.684 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.806 0.516 -4.351 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.073 2.326 -2.523 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.577 -0.717 -1.106 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.958 -1.506 -0.042 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.250 -1.359 1.154 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.728 -0.993 3.524 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.441 -0.204 2.377 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.997 0.732 -0.302 0.00 0.00 -0.294 N ATOM 27 H LIG 1 1.944 1.746 -0.368 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 3.227 0.358 0.283 0.00 0.00 +0.093 A ATOM 29 C LIG 1 4.141 1.369 0.644 0.00 0.00 +0.145 A ATOM 30 C LIG 1 5.367 1.033 1.216 0.00 0.00 +0.080 A ATOM 31 C LIG 1 5.661 -0.312 1.412 0.00 0.00 +0.129 A ATOM 32 N LIG 1 4.804 -1.312 1.095 0.00 0.00 -0.248 NA ATOM 33 C LIG 1 3.619 -0.952 0.538 0.00 0.00 +0.138 A BRANCH 31 34 ATOM 34 C LIG 1 6.965 -0.668 2.070 0.00 0.00 +0.265 C ATOM 35 N LIG 1 7.565 -1.913 1.849 0.00 0.00 -0.302 N ATOM 36 C LIG 1 7.111 -2.889 0.870 0.00 0.00 +0.132 C ATOM 37 C LIG 1 8.677 -2.317 2.691 0.00 0.00 +0.132 C ATOM 38 O LIG 1 7.480 0.181 2.803 0.00 0.00 -0.268 OA ENDBRANCH 31 34 BRANCH 29 39 ATOM 39 O LIG 1 3.719 2.655 0.385 0.00 0.00 -0.493 OA ATOM 40 C LIG 1 4.585 3.711 0.787 0.00 0.00 +0.277 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6