REMARK Name = BDB024308 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.582 -0.328 1.213 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.434 -0.752 -0.243 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.247 -2.114 -0.541 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.110 -2.547 -1.861 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.169 -1.626 -2.904 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.374 -0.276 -2.629 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.513 0.159 -1.309 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.276 1.160 1.522 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.058 1.732 1.330 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.067 2.728 1.515 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -2.153 1.899 1.998 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.210 1.316 0.940 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.056 2.352 0.797 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 3.334 2.084 0.417 0.00 0.00 +0.136 A ATOM 15 C LIG 1 3.870 0.821 0.173 0.00 0.00 +0.048 A ATOM 16 C LIG 1 2.956 -0.219 0.347 0.00 0.00 +0.028 A ATOM 17 C LIG 1 1.629 0.018 0.738 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 5.169 0.606 -0.219 0.00 0.00 -0.328 N ATOM 19 C LIG 1 5.803 -0.715 -0.244 0.00 0.00 +0.116 C ATOM 20 C LIG 1 7.288 -0.410 -0.385 0.00 0.00 +0.034 C ATOM 21 C LIG 1 8.128 -0.589 0.894 0.00 0.00 +0.170 C ATOM 22 O LIG 1 9.097 -1.395 0.178 0.00 0.00 -0.378 OA ATOM 23 C LIG 1 8.199 -1.504 -0.953 0.00 0.00 +0.170 C ATOM 24 C LIG 1 7.358 0.973 -1.017 0.00 0.00 +0.032 C ATOM 25 C LIG 1 6.149 1.677 -0.402 0.00 0.00 +0.106 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.903 -0.722 1.795 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -2.973 -0.232 2.691 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.057 -0.312 0.977 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.361 -0.511 1.762 0.00 0.00 +0.050 C BRANCH 29 33 ATOM 30 C LIG 1 -8.786 0.676 -0.585 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -8.343 -0.650 -0.611 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -7.239 -1.035 0.153 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.569 -0.100 0.953 0.00 0.00 -0.046 A ATOM 34 C LIG 1 -7.013 1.229 0.970 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -8.118 1.615 0.206 0.00 0.00 +0.019 A BRANCH 30 37 ATOM 36 N LIG 1 -10.836 1.391 -2.005 0.00 0.00 -0.191 NA ATOM 37 C LIG 1 -9.919 1.071 -1.369 0.00 0.00 +0.099 C ENDBRANCH 30 37 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9