REMARK Name = BDB014030 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.855 -0.257 0.246 0.00 0.00 +0.160 C ATOM 2 C LIG 1 0.702 0.314 -0.608 0.00 0.00 +0.240 C ATOM 3 O LIG 1 0.904 1.310 -1.315 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.532 -0.345 -0.576 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.793 -1.449 0.298 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -0.394 -1.410 1.651 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.641 -2.513 2.485 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.292 -3.642 1.994 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.705 -3.678 0.667 0.00 0.00 +0.002 A ATOM 10 C LIG 1 0.248 -0.181 2.237 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.458 -2.590 -0.172 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.670 0.023 1.738 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.332 -0.220 -0.016 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.100 0.344 -0.237 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.999 1.169 -0.822 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 4.477 -1.227 0.678 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 5.533 0.552 -0.625 0.00 0.00 +0.137 C ATOM 18 C LIG 1 5.359 0.786 -2.122 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 7.903 0.600 -0.076 0.00 0.00 +0.101 C ATOM 20 N LIG 1 6.765 -0.242 -0.412 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 6.583 -0.891 0.363 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -1.529 0.025 -1.600 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -2.933 0.297 -1.063 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -3.184 1.381 -0.160 0.00 0.00 -0.008 A ATOM 25 C LIG 1 -4.490 1.548 0.364 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -4.770 2.580 1.275 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -3.778 3.472 1.677 0.00 0.00 +0.019 A ATOM 28 C LIG 1 -2.493 3.349 1.159 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -5.515 0.685 -0.032 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -5.280 -0.334 -0.953 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -2.208 2.323 0.248 0.00 0.00 +0.027 A ATOM 32 C LIG 1 -4.003 -0.531 -1.478 0.00 0.00 +0.125 A BRANCH 28 33 ATOM 33 C LIG 1 -1.462 4.260 1.561 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -0.628 4.993 1.898 0.00 0.00 -0.191 NA ENDBRANCH 28 33 BRANCH 32 35 ATOM 35 O LIG 1 -3.704 -1.496 -2.406 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 -4.758 -2.343 -2.850 0.00 0.00 +0.277 C ENDBRANCH 32 35 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7