REMARK Name = BDB031177 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.802 3.077 -1.282 0.00 0.00 +0.144 C ATOM 2 N LIG 1 -1.883 2.157 -0.927 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -1.825 0.818 -1.268 0.00 0.00 +0.227 C ATOM 4 O LIG 1 -0.850 0.387 -1.890 0.00 0.00 -0.275 OA ATOM 5 C LIG 1 -2.884 2.827 -0.103 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -2.413 4.280 0.029 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -1.442 4.455 -1.139 0.00 0.00 +0.063 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 2.101 1.780 0.544 0.00 0.00 +0.066 A ATOM 9 N LIG 1 1.136 1.732 -0.436 0.00 0.00 -0.340 N ATOM 10 H LIG 1 0.944 0.963 -1.069 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 0.358 2.863 -0.353 0.00 0.00 +0.128 A ATOM 12 N LIG 1 0.773 3.638 0.627 0.00 0.00 -0.238 NA ATOM 13 C LIG 1 1.848 2.986 1.176 0.00 0.00 +0.139 A BRANCH 8 17 ATOM 14 C LIG 1 5.014 -1.282 1.285 0.00 0.00 +0.037 A ATOM 15 C LIG 1 4.309 -1.260 0.078 0.00 0.00 +0.014 A ATOM 16 C LIG 1 3.353 -0.267 -0.165 0.00 0.00 +0.011 A ATOM 17 C LIG 1 3.092 0.731 0.787 0.00 0.00 -0.000 A ATOM 18 C LIG 1 3.821 0.708 1.986 0.00 0.00 +0.011 A ATOM 19 C LIG 1 4.776 -0.286 2.237 0.00 0.00 +0.014 A BRANCH 14 23 ATOM 20 C LIG 1 7.096 -3.851 3.112 0.00 0.00 +0.128 C ATOM 21 N LIG 1 6.234 -2.736 2.813 0.00 0.00 -0.314 N ATOM 22 H LIG 1 5.546 -2.472 3.507 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 6.024 -2.353 1.502 0.00 0.00 +0.244 C ATOM 24 O LIG 1 6.593 -2.868 0.546 0.00 0.00 -0.270 OA ENDBRANCH 14 23 ENDBRANCH 8 17 ENDBRANCH 1 11 BRANCH 6 25 ATOM 25 O LIG 1 -3.496 5.197 -0.051 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -3.838 5.202 -0.961 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 -3.013 -0.073 -0.870 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 C LIG 1 -2.542 -1.450 -0.528 0.00 0.00 +0.153 A ATOM 29 O LIG 1 -1.948 -2.189 -1.508 0.00 0.00 -0.355 OA ATOM 30 N LIG 1 -1.601 -3.435 -1.005 0.00 0.00 -0.040 NA ATOM 31 C LIG 1 -1.981 -3.409 0.273 0.00 0.00 +0.255 A ATOM 32 C LIG 1 -2.577 -2.191 0.631 0.00 0.00 +0.115 A BRANCH 31 33 ATOM 33 O LIG 1 -1.802 -4.464 1.099 0.00 0.00 -0.478 OA ATOM 34 C LIG 1 -1.188 -5.591 0.481 0.00 0.00 +0.279 C ENDBRANCH 31 33 ENDBRANCH 27 28 BRANCH 27 35 ATOM 35 C LIG 1 -4.150 -0.006 -1.919 0.00 0.00 +0.002 C ATOM 36 C LIG 1 -3.792 -0.582 -3.293 0.00 0.00 +0.008 C ATOM 37 C LIG 1 -5.433 -0.665 -1.400 0.00 0.00 +0.008 C ENDBRANCH 27 35 ENDBRANCH 3 27 TORSDOF 8