REMARK Name = BDB016044 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.957 2.128 -0.781 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.088 1.184 -0.360 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.155 1.561 -0.004 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.558 2.890 -0.099 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.602 3.777 -0.558 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.655 3.430 -0.902 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.982 -0.137 -1.315 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.697 0.327 -0.988 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.319 1.679 -1.132 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.292 2.567 -1.620 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.576 2.126 -1.951 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.917 0.781 -1.801 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 3.988 -4.886 0.146 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.315 -3.641 -0.504 0.00 0.00 -0.274 N ATOM 15 N LIG 1 5.319 -3.600 -1.398 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.322 -2.326 -1.802 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.328 -1.543 -1.169 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.702 -2.435 -0.321 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.884 3.353 0.235 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.172 4.246 1.245 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.528 4.407 1.230 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.316 5.232 2.112 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -5.140 3.695 0.265 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -4.136 3.059 -0.344 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.998 0.582 0.525 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -2.940 0.631 0.151 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.494 -0.792 0.723 0.00 0.00 +0.103 C ATOM 28 C LIG 1 -1.621 -1.642 -0.571 0.00 0.00 +0.163 C ATOM 29 C LIG 1 -1.290 -3.123 -0.320 0.00 0.00 +0.145 C ATOM 30 C LIG 1 -2.073 -3.711 0.848 0.00 0.00 +0.034 C ATOM 31 C LIG 1 -1.930 -2.869 2.114 0.00 0.00 +0.004 C ATOM 32 C LIG 1 -2.318 -1.416 1.861 0.00 0.00 +0.025 C BRANCH 28 33 ATOM 33 O LIG 1 -0.727 -1.196 -1.605 0.00 0.00 -0.387 OA ATOM 34 H LIG 1 -0.428 -0.297 -1.352 0.00 0.00 +0.210 HD ENDBRANCH 28 33 BRANCH 29 35 ATOM 35 O LIG 1 0.115 -3.251 -0.060 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 0.540 -2.785 -0.811 0.00 0.00 +0.210 HD ENDBRANCH 29 35 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7