REMARK Name = BDB030490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.065 -0.291 -0.715 0.00 0.00 +0.160 A ATOM 2 C LIG 1 -1.164 -0.921 -0.131 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -1.211 -1.023 1.208 0.00 0.00 -0.198 F ATOM 4 C LIG 1 -2.168 -1.419 -0.960 0.00 0.00 +0.163 A ATOM 5 N LIG 1 -2.055 -1.272 -2.301 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -0.964 -0.651 -2.772 0.00 0.00 +0.225 A ATOM 7 N LIG 1 0.038 -0.148 -2.046 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 0.925 0.266 0.132 0.00 0.00 -0.324 N ATOM 9 H LIG 1 1.124 -0.416 0.864 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 2.131 0.737 -0.569 0.00 0.00 +0.137 C BRANCH 10 14 ATOM 11 N LIG 1 6.078 1.030 0.554 0.00 0.00 -0.294 NA ATOM 12 C LIG 1 5.119 -0.061 0.808 0.00 0.00 +0.088 C ATOM 13 C LIG 1 3.785 0.412 1.381 0.00 0.00 +0.051 C ATOM 14 C LIG 1 3.094 1.419 0.443 0.00 0.00 +0.084 C ATOM 15 C LIG 1 4.123 2.274 -0.317 0.00 0.00 +0.051 C ATOM 16 C LIG 1 5.437 2.353 0.455 0.00 0.00 +0.088 C BRANCH 14 17 ATOM 17 O LIG 1 2.313 2.305 1.271 0.00 0.00 -0.387 OA ATOM 18 H LIG 1 1.403 1.939 1.261 0.00 0.00 +0.210 HD ENDBRANCH 14 17 BRANCH 11 19 ATOM 19 C LIG 1 7.143 1.077 1.593 0.00 0.00 +0.180 C BRANCH 19 23 ATOM 20 N LIG 1 8.415 -0.394 0.114 0.00 0.00 -0.328 N ATOM 21 H LIG 1 7.745 -0.092 -0.585 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 8.961 -1.226 -0.053 0.00 0.00 +0.145 HD ATOM 23 C LIG 1 8.129 -0.081 1.415 0.00 0.00 +0.225 C ATOM 24 O LIG 1 8.672 -0.664 2.347 0.00 0.00 -0.275 OA ENDBRANCH 19 23 ENDBRANCH 11 19 ENDBRANCH 10 14 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 25 ATOM 25 N LIG 1 -3.294 -2.115 -0.464 0.00 0.00 -0.304 N BRANCH 25 26 ATOM 26 C LIG 1 -3.544 -2.278 0.979 0.00 0.00 +0.075 C ATOM 27 C LIG 1 -2.785 -3.296 1.792 0.00 0.00 +0.024 C ATOM 28 C LIG 1 -4.242 -3.499 1.522 0.00 0.00 +0.024 C ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 C LIG 1 -4.480 -2.131 -1.340 0.00 0.00 +0.162 C BRANCH 29 30 ATOM 30 C LIG 1 -5.339 -0.883 -1.194 0.00 0.00 +0.059 A ATOM 31 N LIG 1 -6.357 -0.921 -0.291 0.00 0.00 -0.258 NA ATOM 32 C LIG 1 -7.112 0.192 -0.143 0.00 0.00 +0.123 A ATOM 33 C LIG 1 -6.918 1.362 -0.859 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -5.864 1.387 -1.776 0.00 0.00 +0.016 A ATOM 35 C LIG 1 -5.069 0.256 -1.949 0.00 0.00 +0.025 A BRANCH 33 36 ATOM 36 C LIG 1 -7.790 2.552 -0.611 0.00 0.00 +0.419 C ATOM 37 F LIG 1 -7.936 3.344 -1.710 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -9.053 2.220 -0.226 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -7.301 3.360 0.369 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 4 25 TORSDOF 11