REMARK Name = BDB024266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.965 0.033 -0.456 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.143 -0.207 -1.948 0.00 0.00 -0.022 A ATOM 3 C LIG 1 2.575 -1.462 -2.409 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.742 -1.698 -3.775 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.489 -0.683 -4.695 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.073 0.570 -4.252 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.905 0.810 -2.887 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.573 0.662 -0.142 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.464 -0.231 -0.309 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.271 -1.148 -0.689 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.461 1.831 0.225 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -1.827 -0.027 -0.104 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.573 -1.109 -0.402 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 -3.916 -1.002 -0.234 0.00 0.00 +0.136 A ATOM 15 C LIG 1 -4.578 0.130 0.237 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -3.770 1.227 0.527 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -2.384 1.153 0.361 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 -5.973 0.181 0.385 0.00 0.00 -0.327 N ATOM 19 C LIG 1 -6.886 -0.925 0.549 0.00 0.00 +0.118 C ATOM 20 C LIG 1 -7.857 0.088 1.054 0.00 0.00 +0.049 C ATOM 21 C LIG 1 -9.047 0.454 0.232 0.00 0.00 +0.172 C ATOM 22 O LIG 1 -9.927 0.116 1.347 0.00 0.00 -0.378 OA ATOM 23 C LIG 1 -8.778 -0.230 2.176 0.00 0.00 +0.172 C ATOM 24 C LIG 1 -6.743 1.064 1.228 0.00 0.00 +0.118 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 3.056 0.901 0.044 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 2.757 1.866 -0.129 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.297 0.752 1.485 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 4.144 -0.480 1.854 0.00 0.00 +0.050 C BRANCH 28 32 ATOM 29 C LIG 1 8.315 -0.112 0.777 0.00 0.00 +0.052 A ATOM 30 C LIG 1 7.913 0.074 2.103 0.00 0.00 +0.019 A ATOM 31 C LIG 1 6.564 -0.045 2.450 0.00 0.00 +0.005 A ATOM 32 C LIG 1 5.604 -0.355 1.477 0.00 0.00 -0.046 A ATOM 33 C LIG 1 6.016 -0.538 0.151 0.00 0.00 +0.005 A ATOM 34 C LIG 1 7.364 -0.417 -0.199 0.00 0.00 +0.019 A BRANCH 29 36 ATOM 35 N LIG 1 10.820 0.109 0.136 0.00 0.00 -0.191 NA ATOM 36 C LIG 1 9.698 0.012 0.421 0.00 0.00 +0.099 C ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9