REMARK Name = BDB043036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.873 0.266 0.774 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.497 1.621 0.993 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -0.803 2.056 0.690 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -0.828 3.395 0.994 0.00 0.00 +0.020 A ATOM 5 C LIG 1 0.448 3.714 1.459 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.763 1.223 0.194 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -1.440 -0.030 0.004 0.00 0.00 +0.124 A ATOM 8 N LIG 1 1.260 2.657 1.474 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -0.067 -0.564 0.285 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.023 4.347 0.805 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -3.202 4.229 1.736 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -2.300 5.427 1.819 0.00 0.00 +0.009 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 2.161 -0.203 1.052 0.00 0.00 -0.323 N ATOM 14 H LIG 1 2.413 -1.045 0.536 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 3.349 0.619 1.283 0.00 0.00 +0.160 C BRANCH 15 21 ATOM 16 C LIG 1 6.608 -2.996 -1.468 0.00 0.00 +0.047 C ATOM 17 C LIG 1 6.929 -2.524 -0.073 0.00 0.00 -0.008 A ATOM 18 C LIG 1 6.095 -1.584 0.628 0.00 0.00 +0.141 A ATOM 19 N LIG 1 6.475 -1.203 1.911 0.00 0.00 -0.306 N ATOM 20 C LIG 1 5.535 -0.311 2.358 0.00 0.00 +0.117 A ATOM 21 C LIG 1 4.617 -0.186 1.334 0.00 0.00 +0.077 A ATOM 22 C LIG 1 7.608 -1.688 2.555 0.00 0.00 +0.093 A ATOM 23 C LIG 1 8.391 -2.570 1.915 0.00 0.00 +0.018 A ATOM 24 N LIG 1 4.972 -0.993 0.269 0.00 0.00 -0.231 NA ATOM 25 C LIG 1 8.031 -2.986 0.567 0.00 0.00 +0.008 A ENDBRANCH 15 21 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 26 ATOM 26 N LIG 1 -2.385 -0.919 -0.475 0.00 0.00 -0.329 N ATOM 27 H LIG 1 -2.189 -1.894 -0.274 0.00 0.00 +0.147 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.806 -0.590 -0.470 0.00 0.00 +0.109 C BRANCH 28 29 ATOM 29 C LIG 1 -4.592 -1.620 -1.300 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -4.252 -1.522 -2.797 0.00 0.00 +0.133 C ATOM 31 C LIG 1 -4.821 -0.235 -3.443 0.00 0.00 +0.112 C ATOM 32 N LIG 1 -6.058 0.288 -2.835 0.00 0.00 -0.314 NA ATOM 33 H LIG 1 -5.823 0.973 -2.119 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 -6.846 -0.787 -2.246 0.00 0.00 +0.081 C ATOM 35 C LIG 1 -6.114 -1.456 -1.079 0.00 0.00 +0.023 C BRANCH 30 36 ATOM 36 O LIG 1 -4.796 -2.670 -3.466 0.00 0.00 -0.390 OA ATOM 37 H LIG 1 -4.345 -3.455 -3.109 0.00 0.00 +0.210 HD ENDBRANCH 30 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 7 26 TORSDOF 8