REMARK Name = BDB043045 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.520 -2.957 -2.197 0.00 0.00 +0.016 A ATOM 2 C LIG 1 -1.391 -2.143 -1.090 0.00 0.00 +0.163 A ATOM 3 N LIG 1 -0.368 -2.687 -0.296 0.00 0.00 -0.200 N ATOM 4 C LIG 1 -0.006 -2.074 0.938 0.00 0.00 +0.126 A ATOM 5 C LIG 1 -0.685 -0.969 1.302 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -1.744 -0.436 0.388 0.00 0.00 +0.124 A ATOM 7 N LIG 1 0.149 -3.808 -0.888 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -2.072 -1.013 -0.741 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 -0.553 -3.959 -2.008 0.00 0.00 +0.140 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -1.933 -1.896 -4.423 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -2.471 -2.809 -3.331 0.00 0.00 +0.037 C ENDBRANCH 1 11 BRANCH 6 12 ATOM 12 N LIG 1 -2.449 0.707 0.684 0.00 0.00 -0.329 N ATOM 13 H LIG 1 -3.048 0.940 -0.106 0.00 0.00 +0.147 HD BRANCH 12 14 ATOM 14 C LIG 1 -1.853 1.871 1.320 0.00 0.00 +0.109 C BRANCH 14 15 ATOM 15 C LIG 1 -2.889 2.997 1.472 0.00 0.00 +0.037 C ATOM 16 C LIG 1 -2.217 4.278 2.009 0.00 0.00 +0.133 C ATOM 17 C LIG 1 -2.387 4.407 3.533 0.00 0.00 +0.112 C ATOM 18 N LIG 1 -3.783 4.436 3.986 0.00 0.00 -0.314 NA ATOM 19 H LIG 1 -4.103 5.402 4.058 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 -4.705 3.725 3.094 0.00 0.00 +0.081 C ATOM 21 C LIG 1 -4.050 2.546 2.385 0.00 0.00 +0.023 C BRANCH 16 22 ATOM 22 O LIG 1 -2.811 5.409 1.355 0.00 0.00 -0.390 OA ATOM 23 H LIG 1 -2.482 6.211 1.796 0.00 0.00 +0.210 HD ENDBRANCH 16 22 ENDBRANCH 14 15 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 4 24 ATOM 24 N LIG 1 1.006 -2.595 1.766 0.00 0.00 -0.323 N ATOM 25 H LIG 1 1.295 -1.924 2.474 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 2.189 -3.316 1.285 0.00 0.00 +0.160 C BRANCH 26 27 ATOM 27 C LIG 1 3.171 -2.485 0.516 0.00 0.00 +0.077 A ATOM 28 N LIG 1 3.948 -1.538 1.152 0.00 0.00 -0.231 NA ATOM 29 C LIG 1 4.657 -0.970 0.200 0.00 0.00 +0.138 A ATOM 30 N LIG 1 4.364 -1.506 -1.054 0.00 0.00 -0.304 N ATOM 31 C LIG 1 4.968 -1.071 -2.248 0.00 0.00 +0.022 A ATOM 32 C LIG 1 5.883 -0.083 -2.170 0.00 0.00 +0.021 A ATOM 33 C LIG 1 6.216 0.493 -0.877 0.00 0.00 +0.005 A ATOM 34 C LIG 1 4.576 -1.707 -3.547 0.00 0.00 +0.064 C ATOM 35 C LIG 1 5.628 0.068 0.256 0.00 0.00 +0.047 A ATOM 36 C LIG 1 3.417 -2.476 -0.842 0.00 0.00 +0.117 A ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 4 24 TORSDOF 8