REMARK Name = BDB038681 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.764 -1.478 0.896 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -2.820 -0.560 1.022 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -4.131 -0.954 1.361 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -4.360 -2.310 1.629 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -3.321 -3.233 1.543 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.038 -2.820 1.175 0.00 0.00 +0.023 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.880 -0.246 -0.933 0.00 0.00 -0.033 A ATOM 8 C LIG 1 3.049 -1.272 -0.460 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.734 -0.956 -0.167 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.667 -1.833 0.331 0.00 0.00 +0.251 C ATOM 11 N LIG 1 -0.478 -1.042 0.477 0.00 0.00 -0.263 N ATOM 12 C LIG 1 -0.218 0.341 0.082 0.00 0.00 +0.149 C ATOM 13 O LIG 1 0.853 -3.018 0.542 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.218 0.324 -0.318 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.019 1.352 -0.779 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.355 1.060 -1.083 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.329 -0.521 -1.261 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.205 0.069 -0.250 0.00 0.00 -0.310 NA ATOM 19 H LIG 1 5.954 -0.318 0.661 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.611 -0.228 -0.537 0.00 0.00 +0.109 C BRANCH 20 21 ATOM 21 C LIG 1 8.539 0.382 0.524 0.00 0.00 +0.174 C BRANCH 21 23 ATOM 22 C LIG 1 10.556 0.779 -0.669 0.00 0.00 +0.194 C ATOM 23 O LIG 1 9.900 -0.004 0.319 0.00 0.00 -0.382 OA ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 3 24 ATOM 24 C LIG 1 -5.234 0.032 1.419 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -5.532 0.923 0.357 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -6.564 1.870 0.499 0.00 0.00 +0.031 A ATOM 27 C LIG 1 -7.324 1.931 1.669 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -7.051 1.047 2.713 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -6.017 0.114 2.589 0.00 0.00 +0.010 A BRANCH 25 30 ATOM 30 C LIG 1 -4.782 0.935 -0.899 0.00 0.00 +0.164 A ATOM 31 N LIG 1 -4.747 -0.060 -1.845 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -5.472 -1.301 -1.864 0.00 0.00 +0.152 C ATOM 33 C LIG 1 -3.884 0.360 -2.810 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -3.423 1.548 -2.501 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 -4.000 1.918 -1.310 0.00 0.00 -0.129 NA ENDBRANCH 25 30 BRANCH 27 36 ATOM 36 C LIG 1 -8.378 2.893 1.796 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -9.240 3.663 1.901 0.00 0.00 -0.191 NA ENDBRANCH 27 36 ENDBRANCH 3 24 TORSDOF 9