REMARK Name = BDB024340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.038 -2.217 -0.245 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.823 -3.701 -0.504 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.329 -4.557 0.495 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.135 -5.915 0.237 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.441 -6.439 -1.017 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.948 -5.607 -2.013 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.143 -4.248 -1.758 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.765 -1.574 0.376 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.180 -1.241 -0.571 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.035 -1.515 -1.534 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.659 -1.393 1.589 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.408 -0.611 -0.386 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.107 -0.469 -1.532 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 3.317 0.142 -1.454 0.00 0.00 +0.123 A ATOM 15 C LIG 1 3.892 0.620 -0.281 0.00 0.00 +0.019 A ATOM 16 C LIG 1 3.130 0.472 0.880 0.00 0.00 +0.015 A ATOM 17 C LIG 1 1.880 -0.150 0.833 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.212 1.287 -0.241 0.00 0.00 +0.079 A ATOM 19 N LIG 1 5.330 2.389 0.573 0.00 0.00 -0.237 NA ATOM 20 C LIG 1 6.484 2.965 0.623 0.00 0.00 +0.202 A ATOM 21 N LIG 1 7.595 2.559 -0.066 0.00 0.00 -0.302 N ATOM 22 C LIG 1 8.849 3.272 0.053 0.00 0.00 +0.153 C ATOM 23 C LIG 1 7.538 1.456 -0.886 0.00 0.00 +0.254 A ATOM 24 O LIG 1 8.480 1.020 -1.541 0.00 0.00 -0.268 OA ATOM 25 C LIG 1 6.230 0.784 -0.953 0.00 0.00 +0.098 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.213 -2.023 0.631 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -2.897 -2.097 1.600 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.926 -0.761 0.408 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -3.355 0.455 2.590 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -3.326 0.511 1.058 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -4.037 1.764 0.556 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -3.313 2.737 -0.150 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.942 3.893 -0.621 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.306 4.092 -0.392 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -6.036 3.130 0.311 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -5.406 1.975 0.782 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -5.952 5.277 -0.875 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -6.475 6.236 -1.268 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9