REMARK Name = BDB011667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.864 -0.947 -0.366 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.582 -1.135 0.450 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.476 -2.085 1.234 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.421 -0.180 0.262 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.150 1.073 -0.388 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -1.029 1.817 -0.137 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -1.211 3.060 -0.769 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.251 3.566 -1.644 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.894 2.829 -1.909 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -2.034 1.333 0.758 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.769 2.179 1.607 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -3.937 1.957 1.926 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 1.089 1.592 -1.291 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -2.708 0.089 0.369 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -2.094 3.353 2.223 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -2.825 4.539 2.374 0.00 0.00 +0.035 A ATOM 17 C LIG 1 -2.247 5.657 2.980 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -0.902 5.597 3.355 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -0.174 4.410 3.233 0.00 0.00 +0.003 A ATOM 20 C LIG 1 -0.775 3.280 2.683 0.00 0.00 +0.013 A BRANCH 17 21 ATOM 21 N LIG 1 -2.933 6.877 3.005 0.00 0.00 -0.358 N ATOM 22 H LIG 1 -2.600 7.521 3.716 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 -3.944 6.778 3.025 0.00 0.00 +0.142 HD ENDBRANCH 17 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -2.264 -3.105 -1.485 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -2.550 -2.241 -0.445 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -2.740 -2.682 0.449 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -1.603 -2.772 -2.468 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -2.802 -4.541 -1.287 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -1.669 -5.381 -0.698 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -3.772 -6.399 -2.563 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -3.316 -5.022 -2.582 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -2.588 -4.893 -3.289 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 1.603 -0.276 1.139 0.00 0.00 +0.149 C BRANCH 33 34 ATOM 34 C LIG 1 2.974 -0.175 0.484 0.00 0.00 -0.019 A ATOM 35 C LIG 1 3.437 -1.216 -0.388 0.00 0.00 -0.013 A ATOM 36 C LIG 1 4.710 -1.086 -0.998 0.00 0.00 -0.018 A ATOM 37 C LIG 1 5.189 -2.078 -1.870 0.00 0.00 +0.008 A ATOM 38 C LIG 1 4.432 -3.212 -2.154 0.00 0.00 +0.001 A ATOM 39 C LIG 1 3.188 -3.368 -1.563 0.00 0.00 +0.001 A ATOM 40 C LIG 1 5.500 0.036 -0.732 0.00 0.00 +0.009 A ATOM 41 C LIG 1 5.058 1.035 0.130 0.00 0.00 +0.004 A ATOM 42 C LIG 1 2.702 -2.388 -0.692 0.00 0.00 +0.009 A ATOM 43 C LIG 1 3.804 0.948 0.746 0.00 0.00 -0.045 A ATOM 44 C LIG 1 3.394 2.064 1.671 0.00 0.00 +0.044 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 7