REMARK Name = BDB024446 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.027 2.370 -0.779 0.00 0.00 +0.172 C ENDROOT BRANCH 1 9 ATOM 2 C LIG 1 3.363 -1.247 0.341 0.00 0.00 -0.015 A ATOM 3 C LIG 1 3.032 -1.256 -1.018 0.00 0.00 +0.014 A ATOM 4 C LIG 1 2.002 -0.438 -1.531 0.00 0.00 -0.025 A ATOM 5 C LIG 1 1.709 -0.530 -3.005 0.00 0.00 +0.038 C ATOM 6 C LIG 1 0.973 0.700 -3.491 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -0.217 0.958 -2.586 0.00 0.00 +0.114 C ATOM 8 N LIG 1 0.172 1.191 -1.191 0.00 0.00 -0.270 N ATOM 9 C LIG 1 -0.526 2.129 -0.407 0.00 0.00 +0.241 C ATOM 10 O LIG 1 -0.038 2.714 0.568 0.00 0.00 -0.273 OA ATOM 11 C LIG 1 1.263 0.404 -0.673 0.00 0.00 +0.040 A ATOM 12 C LIG 1 1.598 0.392 0.688 0.00 0.00 +0.024 A ATOM 13 C LIG 1 2.635 -0.411 1.186 0.00 0.00 +0.010 A BRANCH 2 18 ATOM 14 C LIG 1 6.656 -4.919 0.963 0.00 0.00 +0.172 C ATOM 15 N LIG 1 5.875 -3.718 1.132 0.00 0.00 -0.274 N ATOM 16 N LIG 1 6.094 -2.934 2.201 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 5.217 -1.939 2.042 0.00 0.00 +0.142 A ATOM 18 C LIG 1 4.431 -2.079 0.873 0.00 0.00 +0.020 A ATOM 19 C LIG 1 4.888 -3.255 0.311 0.00 0.00 +0.116 A ENDBRANCH 2 18 ENDBRANCH 1 9 BRANCH 1 20 ATOM 20 C LIG 1 -2.250 3.652 -1.576 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -1.498 4.818 -1.358 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -1.739 5.972 -2.108 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.743 5.984 -3.074 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.515 4.845 -3.285 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.275 3.690 -2.539 0.00 0.00 +0.005 A ENDBRANCH 1 20 BRANCH 1 26 ATOM 26 N LIG 1 -2.874 2.398 0.444 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -2.541 3.189 1.003 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.780 1.192 1.280 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -3.244 -0.104 0.599 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -3.122 -1.292 1.527 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -4.228 -1.739 2.261 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.104 -2.823 3.134 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -2.873 -3.467 3.284 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -1.765 -3.024 2.556 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -1.889 -1.941 1.683 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -2.744 -4.575 4.186 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -2.639 -5.471 4.915 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 8