REMARK Name = BDB011981 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.029 1.739 -0.090 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.403 1.415 -0.441 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -2.177 2.342 -0.716 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.799 0.078 -0.442 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.905 -1.066 -0.323 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.248 -1.172 0.517 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.821 -2.460 0.672 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.413 -3.571 -0.061 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.606 -3.435 -0.976 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.844 -0.098 1.279 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.043 -0.179 2.011 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.165 0.315 3.133 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -1.251 -2.205 -1.093 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.226 1.209 1.320 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.261 -0.749 1.368 0.00 0.00 +0.037 A ATOM 16 C LIG 1 3.515 -0.580 0.003 0.00 0.00 +0.013 A ATOM 17 C LIG 1 4.678 -1.108 -0.562 0.00 0.00 +0.006 A ATOM 18 C LIG 1 5.602 -1.803 0.231 0.00 0.00 -0.022 A ATOM 19 C LIG 1 5.361 -1.935 1.605 0.00 0.00 +0.006 A ATOM 20 C LIG 1 4.199 -1.407 2.172 0.00 0.00 +0.013 A BRANCH 18 21 ATOM 21 C LIG 1 6.875 -2.337 -0.371 0.00 0.00 +0.191 C BRANCH 21 22 ATOM 22 O LIG 1 7.925 -1.389 -0.249 0.00 0.00 -0.390 OA ATOM 23 H LIG 1 7.545 -0.564 0.101 0.00 0.00 +0.210 HD ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 1.487 3.720 -0.310 0.00 0.00 +0.230 C ATOM 25 N LIG 1 0.227 3.186 -0.181 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -0.603 3.745 -0.354 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 2.494 3.012 -0.242 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 1.556 5.263 -0.450 0.00 0.00 +0.137 C ATOM 29 C LIG 1 0.664 5.776 -1.577 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 3.324 6.897 -0.093 0.00 0.00 +0.101 C ATOM 31 N LIG 1 2.955 5.647 -0.741 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 3.562 4.896 -0.390 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 -3.226 -0.133 -0.799 0.00 0.00 +0.149 C BRANCH 33 34 ATOM 34 C LIG 1 -3.994 -1.219 -0.040 0.00 0.00 -0.019 A ATOM 35 C LIG 1 -4.745 -2.221 -0.755 0.00 0.00 -0.013 A ATOM 36 C LIG 1 -5.390 -3.248 -0.018 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -6.109 -4.263 -0.671 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -6.226 -4.285 -2.057 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -5.628 -3.285 -2.805 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -5.324 -3.259 1.376 0.00 0.00 +0.009 A ATOM 41 C LIG 1 -4.657 -2.253 2.065 0.00 0.00 +0.004 A ATOM 42 C LIG 1 -4.906 -2.272 -2.166 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -4.016 -1.215 1.379 0.00 0.00 -0.045 A ATOM 44 C LIG 1 -3.347 -0.160 2.218 0.00 0.00 +0.044 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 8