REMARK Name = BDB044838 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.030 -2.432 -1.002 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.774 -3.267 0.101 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.588 -3.085 0.824 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.630 -2.133 0.496 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.599 -2.298 1.475 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.921 -3.250 2.364 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.880 -1.299 -0.609 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.101 -3.718 1.933 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.535 -4.472 2.452 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.066 -1.469 -1.342 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.940 1.607 0.385 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.846 0.253 0.030 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.280 -0.157 -1.222 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.334 -1.490 -1.912 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.288 -2.583 -1.825 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.982 -1.186 -3.244 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.223 0.176 -3.277 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.658 0.632 -4.064 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.234 -2.006 -4.111 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.640 -2.754 -1.161 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.821 0.798 -2.094 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.931 2.136 -1.780 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.479 2.540 -0.520 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.503 3.254 2.049 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.476 1.892 1.641 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.629 -1.569 1.592 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -1.351 -1.050 0.585 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -2.616 -0.326 0.772 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -2.886 0.785 -0.036 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.090 1.486 0.091 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.054 1.079 1.022 0.00 0.00 -0.033 A ATOM 32 C LIG 1 -4.790 -0.042 1.820 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.586 -0.741 1.692 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 -6.357 1.837 1.169 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 -7.545 1.015 0.894 0.00 0.00 -0.294 NA ATOM 36 C LIG 1 -8.794 1.729 1.232 0.00 0.00 +0.113 C ATOM 37 C LIG 1 -9.493 2.352 0.014 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -9.850 1.389 -0.987 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -9.001 0.232 -0.983 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -7.574 0.551 -0.513 0.00 0.00 +0.113 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6