REMARK Name = BDB024247 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.265 2.161 -1.250 0.00 0.00 -0.269 N ATOM 2 H LIG 1 -0.336 2.869 -1.966 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 -1.448 2.000 -0.585 0.00 0.00 +0.240 C ATOM 4 O LIG 1 -2.379 2.714 -0.986 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 3.449 0.223 -0.971 0.00 0.00 +0.048 A ATOM 6 C LIG 1 2.341 -0.082 -0.172 0.00 0.00 +0.136 A ATOM 7 N LIG 1 1.127 0.529 -0.217 0.00 0.00 -0.238 NA ATOM 8 C LIG 1 0.954 1.497 -1.122 0.00 0.00 +0.125 A ATOM 9 C LIG 1 1.977 1.878 -1.980 0.00 0.00 +0.045 A ATOM 10 C LIG 1 3.220 1.238 -1.901 0.00 0.00 +0.028 A BRANCH 5 17 ATOM 11 C LIG 1 8.969 -0.853 0.958 0.00 0.00 +0.132 C ATOM 12 N LIG 1 7.740 -0.446 0.288 0.00 0.00 -0.303 N ATOM 13 C LIG 1 7.893 0.249 -0.906 0.00 0.00 +0.217 C ATOM 14 O LIG 1 9.005 0.567 -1.337 0.00 0.00 -0.276 OA ATOM 15 C LIG 1 6.669 0.719 -1.659 0.00 0.00 +0.115 C ATOM 16 C LIG 1 5.664 -0.383 -1.917 0.00 0.00 +0.114 C ATOM 17 N LIG 1 4.666 -0.462 -0.840 0.00 0.00 -0.327 N ATOM 18 C LIG 1 5.192 -0.499 0.544 0.00 0.00 +0.124 C ATOM 19 C LIG 1 6.545 -1.218 0.663 0.00 0.00 +0.126 C ENDBRANCH 5 17 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -1.609 0.974 0.576 0.00 0.00 +0.171 C BRANCH 20 21 ATOM 21 C LIG 1 -1.852 -0.463 0.121 0.00 0.00 -0.022 A ATOM 22 C LIG 1 -1.415 -1.524 0.933 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -1.647 -2.850 0.564 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.324 -3.137 -0.619 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.769 -2.098 -1.433 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.538 -0.770 -1.065 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -2.614 1.427 1.585 0.00 0.00 -0.302 NA ATOM 28 H LIG 1 -2.515 0.834 2.406 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.009 1.419 1.128 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -4.843 0.340 1.839 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -6.257 0.280 1.310 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -7.245 1.133 1.820 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -8.547 1.086 1.315 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -8.872 0.189 0.293 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -7.888 -0.659 -0.224 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -6.587 -0.612 0.281 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -10.207 0.141 -0.225 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -11.290 0.099 -0.643 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 3 20 TORSDOF 9