REMARK Name = BDB011982 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.767 -0.388 -0.054 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.301 -1.204 -0.743 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.047 -2.374 -1.064 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.535 -0.610 -1.015 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.948 0.771 -0.767 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -1.117 1.910 -0.537 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -1.751 3.171 -0.363 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -3.133 3.340 -0.344 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -3.941 2.241 -0.508 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.331 1.945 -0.553 0.00 0.00 -0.267 N ATOM 11 C LIG 1 1.037 2.907 0.211 0.00 0.00 +0.224 C ATOM 12 O LIG 1 0.555 3.476 1.193 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -3.356 0.992 -0.714 0.00 0.00 +0.025 A ATOM 14 C LIG 1 1.045 0.765 -1.004 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 3.023 -0.845 0.907 0.00 0.00 +0.230 C ATOM 16 N LIG 1 1.935 -1.235 0.165 0.00 0.00 -0.301 N ATOM 17 H LIG 1 1.952 -2.163 -0.262 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 3.110 0.274 1.404 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 4.087 -1.952 1.072 0.00 0.00 +0.137 C ATOM 20 C LIG 1 5.342 -1.440 1.774 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 5.020 -1.783 -1.202 0.00 0.00 +0.101 C ATOM 22 N LIG 1 4.347 -2.630 -0.223 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 4.934 -3.447 -0.045 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 -2.462 -1.491 -1.743 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 -3.275 -2.572 -1.012 0.00 0.00 -0.019 A ATOM 26 C LIG 1 -3.461 -2.684 0.418 0.00 0.00 -0.013 A ATOM 27 C LIG 1 -4.262 -3.753 0.915 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -4.483 -3.927 2.293 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -3.931 -3.062 3.229 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -3.153 -2.009 2.790 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -4.856 -4.665 0.043 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.689 -4.556 -1.328 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -2.927 -1.828 1.419 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -3.920 -3.522 -1.868 0.00 0.00 -0.045 A ATOM 35 C LIG 1 -3.780 -3.488 -3.373 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 36 ATOM 36 C LIG 1 2.451 3.234 -0.271 0.00 0.00 +0.131 C BRANCH 36 37 ATOM 37 C LIG 1 2.850 4.674 -0.038 0.00 0.00 -0.036 A ATOM 38 C LIG 1 2.721 5.630 -1.050 0.00 0.00 +0.024 A ATOM 39 C LIG 1 3.097 6.938 -0.781 0.00 0.00 +0.111 A ATOM 40 N LIG 1 3.581 7.353 0.409 0.00 0.00 -0.263 NA ATOM 41 C LIG 1 3.681 6.418 1.378 0.00 0.00 +0.111 A ATOM 42 C LIG 1 3.336 5.086 1.206 0.00 0.00 +0.024 A ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 7