REMARK Name = BDB011824 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.902 -0.389 0.004 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.203 -0.800 -0.943 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.197 -1.966 -1.368 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.208 0.111 -1.297 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.207 1.583 -1.153 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.203 2.417 -0.562 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.418 3.823 -0.499 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.567 4.439 -0.977 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.536 3.660 -1.560 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.088 1.993 -0.087 0.00 0.00 -0.263 N ATOM 11 C LIG 1 1.657 2.572 1.071 0.00 0.00 +0.251 C ATOM 12 O LIG 1 1.125 3.395 1.811 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.347 2.277 -1.649 0.00 0.00 +0.025 A ATOM 14 C LIG 1 1.618 0.765 -0.647 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.014 2.151 1.473 0.00 0.00 +0.037 A ATOM 16 C LIG 1 4.128 2.629 0.772 0.00 0.00 +0.015 A ATOM 17 C LIG 1 5.408 2.219 1.154 0.00 0.00 +0.033 A ATOM 18 C LIG 1 5.559 1.339 2.238 0.00 0.00 +0.126 A ATOM 19 C LIG 1 4.442 0.883 2.953 0.00 0.00 +0.033 A ATOM 20 C LIG 1 3.166 1.302 2.573 0.00 0.00 +0.015 A BRANCH 18 21 ATOM 21 N LIG 1 6.902 0.881 2.618 0.00 0.00 +0.056 N ATOM 22 O LIG 1 7.867 1.360 2.006 0.00 0.00 -0.126 OA ATOM 23 O LIG 1 6.989 0.031 3.515 0.00 0.00 -0.126 OA ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 2.013 -2.087 1.456 0.00 0.00 +0.230 C ATOM 25 N LIG 1 1.806 -1.520 0.217 0.00 0.00 -0.301 N ATOM 26 H LIG 1 1.997 -2.133 -0.574 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 1.625 -1.571 2.499 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 2.733 -3.454 1.392 0.00 0.00 +0.137 C ATOM 29 C LIG 1 3.223 -3.907 2.765 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 4.940 -2.633 0.661 0.00 0.00 +0.101 C ATOM 31 N LIG 1 3.784 -3.465 0.339 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 4.107 -4.427 0.226 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 -2.344 -0.541 -2.002 0.00 0.00 +0.149 C BRANCH 33 34 ATOM 34 C LIG 1 -3.723 -0.540 -1.321 0.00 0.00 -0.019 A ATOM 35 C LIG 1 -4.902 -0.424 -2.150 0.00 0.00 -0.013 A ATOM 36 C LIG 1 -6.176 -0.346 -1.532 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -7.345 -0.200 -2.299 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -7.292 -0.145 -3.688 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.067 -0.244 -4.325 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -6.285 -0.422 -0.144 0.00 0.00 +0.009 A ATOM 41 C LIG 1 -5.159 -0.613 0.647 0.00 0.00 +0.004 A ATOM 42 C LIG 1 -4.897 -0.384 -3.571 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -3.880 -0.706 0.080 0.00 0.00 -0.045 A ATOM 44 C LIG 1 -2.746 -0.978 1.031 0.00 0.00 +0.044 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 7