REMARK Name = BDB024178 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.402 -1.268 -0.199 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.055 -2.447 -1.096 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.911 -2.287 -2.484 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.556 -3.368 -3.292 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.339 -4.621 -2.724 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.480 -4.797 -1.349 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.836 -3.717 -0.538 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.229 -0.257 0.028 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.036 -0.734 -0.223 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.156 -1.669 -0.593 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.478 0.869 0.470 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.258 -0.078 -0.088 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.313 -0.847 -0.429 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.549 -0.295 -0.331 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.804 1.004 0.095 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.693 1.771 0.444 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.407 1.228 0.352 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.148 1.543 0.185 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.238 1.105 -0.540 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.292 1.888 -0.163 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.648 1.816 -0.651 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.971 2.809 0.761 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.668 2.601 0.969 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.563 -0.510 -0.724 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.548 0.422 -0.297 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.857 -1.148 -0.460 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.371 -1.056 0.990 0.00 0.00 +0.050 C BRANCH 27 30 ATOM 28 C LIG 1 -7.049 0.281 0.553 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -5.907 0.985 1.235 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.663 0.357 1.457 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -3.647 1.068 2.122 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.851 2.378 2.557 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.079 3.000 2.340 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -6.101 2.304 1.686 0.00 0.00 +0.022 A BRANCH 33 35 ATOM 35 C LIG 1 -5.296 4.345 2.788 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -5.476 5.432 3.152 0.00 0.00 -0.191 NA ENDBRANCH 33 35 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9