REMARK Name = BDB054686 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.778 -0.583 -1.366 0.00 0.00 +0.055 A ATOM 2 N LIG 1 -3.785 -0.232 -0.467 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -2.556 -0.579 -1.000 0.00 0.00 +0.147 A ATOM 4 C LIG 1 -2.758 -1.041 -2.287 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -1.622 -1.407 -2.993 0.00 0.00 +0.126 A ATOM 6 N LIG 1 -0.409 -1.294 -2.409 0.00 0.00 -0.222 NA ATOM 7 C LIG 1 -0.318 -0.826 -1.148 0.00 0.00 +0.221 A ATOM 8 N LIG 1 -1.365 -0.444 -0.394 0.00 0.00 -0.196 NA ATOM 9 C LIG 1 -4.148 -0.997 -2.530 0.00 0.00 +0.039 A ENDROOT BRANCH 1 16 ATOM 10 C LIG 1 -6.878 -0.858 1.317 0.00 0.00 +0.066 C ATOM 11 C LIG 1 -7.149 -0.595 -0.118 0.00 0.00 +0.045 A ATOM 12 N LIG 1 -8.436 -0.470 -0.595 0.00 0.00 -0.271 N ATOM 13 C LIG 1 -9.660 -0.419 0.172 0.00 0.00 +0.172 C ATOM 14 N LIG 1 -8.516 -0.456 -1.936 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -7.243 -0.514 -2.324 0.00 0.00 +0.144 A ATOM 16 C LIG 1 -6.339 -0.538 -1.237 0.00 0.00 +0.039 A ENDBRANCH 1 16 BRANCH 2 17 ATOM 17 C LIG 1 -3.929 0.620 0.705 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -3.440 -0.008 2.021 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -2.878 1.159 2.820 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -2.224 2.029 1.762 0.00 0.00 +0.002 C ATOM 21 C LIG 1 -3.200 1.979 0.592 0.00 0.00 +0.025 C ENDBRANCH 2 17 BRANCH 7 22 ATOM 22 N LIG 1 0.921 -0.689 -0.512 0.00 0.00 -0.282 N ATOM 23 H LIG 1 0.734 -0.320 0.411 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 2.179 -0.963 -0.904 0.00 0.00 +0.052 A ATOM 25 C LIG 1 2.608 -1.505 -2.088 0.00 0.00 +0.109 A ATOM 26 N LIG 1 3.973 -1.628 -2.031 0.00 0.00 -0.344 N ATOM 27 C LIG 1 4.784 -2.189 -3.091 0.00 0.00 +0.149 C ATOM 28 C LIG 1 4.450 -1.118 -0.838 0.00 0.00 +0.106 A ATOM 29 C LIG 1 3.327 -0.736 -0.112 0.00 0.00 +0.055 A BRANCH 28 30 ATOM 30 C LIG 1 5.853 -1.097 -0.460 0.00 0.00 +0.263 C ATOM 31 N LIG 1 6.324 -0.001 0.261 0.00 0.00 -0.294 N ATOM 32 C LIG 1 7.701 -0.041 0.755 0.00 0.00 +0.123 C ATOM 33 C LIG 1 7.934 1.001 1.861 0.00 0.00 +0.103 C ATOM 34 N LIG 1 7.692 2.391 1.421 0.00 0.00 -0.302 NA ATOM 35 C LIG 1 7.367 3.245 2.559 0.00 0.00 +0.105 C ATOM 36 C LIG 1 6.673 2.473 0.355 0.00 0.00 +0.103 C ATOM 37 C LIG 1 5.663 1.309 0.317 0.00 0.00 +0.123 C ATOM 38 O LIG 1 6.611 -2.018 -0.766 0.00 0.00 -0.268 OA ENDBRANCH 28 30 ENDBRANCH 22 24 ENDBRANCH 7 22 TORSDOF 5