REMARK Name = BDB031761 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.120 -2.697 -0.247 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -0.031 -2.937 0.527 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.105 -2.043 0.428 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.100 -0.934 -0.406 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.372 -0.305 -0.205 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -3.091 -0.974 0.700 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.040 -0.698 -1.196 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -2.321 -2.010 1.048 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -2.687 -2.665 1.728 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.125 -1.585 -1.107 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.964 0.347 1.884 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.339 -0.869 1.573 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.016 -1.810 0.810 0.00 0.00 -0.007 A ATOM 14 C LIG 1 3.666 -3.183 0.310 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.308 -3.630 -0.193 0.00 0.00 +0.040 C ATOM 16 C LIG 1 4.913 -3.639 -0.412 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.829 -2.604 -0.334 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.751 -2.662 -0.737 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.061 -4.721 -0.954 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 2.844 -4.134 1.133 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.321 -1.521 0.386 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.967 -0.338 0.673 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.271 0.608 1.433 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.758 2.461 2.961 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.198 1.196 2.637 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.710 0.826 -0.864 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -2.066 1.212 -1.543 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.957 1.487 -0.982 0.00 0.00 +0.166 A ATOM 29 C LIG 1 -3.967 2.736 -1.641 0.00 0.00 +0.160 A ATOM 30 C LIG 1 -5.173 3.427 -1.750 0.00 0.00 +0.051 A ATOM 31 C LIG 1 -6.327 2.875 -1.202 0.00 0.00 +0.027 A ATOM 32 C LIG 1 -6.245 1.645 -0.565 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -7.466 1.021 0.039 0.00 0.00 +0.065 C ATOM 34 N LIG 1 -5.086 0.960 -0.456 0.00 0.00 -0.233 NA BRANCH 29 35 ATOM 35 O LIG 1 -2.762 3.163 -2.151 0.00 0.00 -0.492 OA ATOM 36 C LIG 1 -2.729 4.469 -2.712 0.00 0.00 +0.277 C ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5