REMARK Name = BDB051009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.700 -0.235 0.529 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.702 0.934 -0.237 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.711 1.109 -1.194 0.00 0.00 -0.040 A ATOM 4 C LIG 1 3.489 2.307 -2.065 0.00 0.00 +0.038 C ATOM 5 C LIG 1 2.535 1.749 -3.134 0.00 0.00 +0.045 C ATOM 6 C LIG 1 1.766 0.600 -2.468 0.00 0.00 +0.138 C ATOM 7 C LIG 1 0.390 1.014 -1.930 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.153 1.933 -1.157 0.00 0.00 -0.272 OA ATOM 9 N LIG 1 -0.533 0.146 -2.450 0.00 0.00 -0.215 N ATOM 10 C LIG 1 0.063 -0.768 -3.261 0.00 0.00 +0.310 C ATOM 11 O LIG 1 -0.457 -1.731 -3.800 0.00 0.00 -0.252 OA ATOM 12 N LIG 1 1.395 -0.443 -3.387 0.00 0.00 -0.281 N ATOM 13 H LIG 1 2.039 -1.117 -3.777 0.00 0.00 +0.152 HD ATOM 14 C LIG 1 2.718 0.146 -1.400 0.00 0.00 -0.012 A ATOM 15 C LIG 1 2.694 -1.013 -0.641 0.00 0.00 +0.008 A ATOM 16 C LIG 1 3.694 -1.200 0.320 0.00 0.00 +0.024 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 8.602 0.291 3.465 0.00 0.00 +0.129 C ATOM 18 N LIG 1 7.458 -0.377 2.895 0.00 0.00 -0.302 N ATOM 19 H LIG 1 7.569 -1.362 2.708 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 6.667 0.299 1.982 0.00 0.00 +0.304 C ATOM 21 N LIG 1 5.663 -0.522 1.517 0.00 0.00 -0.269 N ATOM 22 H LIG 1 5.527 -1.371 2.044 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 6.869 1.466 1.676 0.00 0.00 -0.253 OA ENDBRANCH 1 21 BRANCH 9 24 ATOM 24 C LIG 1 -1.907 0.073 -2.010 0.00 0.00 +0.213 C BRANCH 24 25 ATOM 25 C LIG 1 -1.982 -0.776 -0.729 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -3.199 -0.796 -0.038 0.00 0.00 -0.293 N ATOM 27 O LIG 1 -1.000 -1.417 -0.340 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 C LIG 1 -3.312 -1.680 1.140 0.00 0.00 +0.076 C ATOM 29 C LIG 1 -4.015 -1.038 2.338 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -4.008 -2.963 0.739 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -3.283 -4.017 -0.062 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -3.620 -4.273 1.380 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 BRANCH 26 33 ATOM 33 C LIG 1 -4.394 -0.086 -0.505 0.00 0.00 +0.143 C BRANCH 33 34 ATOM 34 C LIG 1 -4.577 1.313 0.047 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -5.849 1.905 -0.042 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.070 3.204 0.421 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.022 3.934 0.973 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -3.753 3.367 1.060 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -3.531 2.067 0.599 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7