REMARK Name = BDB000321 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.375 0.600 -0.084 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -0.154 -0.022 -0.408 0.00 0.00 +0.032 A ATOM 3 C LIG 1 0.458 0.107 -1.669 0.00 0.00 +0.033 A ATOM 4 N LIG 1 1.674 -0.509 -1.978 0.00 0.00 -0.329 N ATOM 5 C LIG 1 2.337 -0.127 -3.230 0.00 0.00 +0.105 C ATOM 6 C LIG 1 1.331 -0.037 -4.363 0.00 0.00 +0.024 C ATOM 7 C LIG 1 0.311 1.038 -4.031 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -0.241 0.860 -2.639 0.00 0.00 -0.026 A ATOM 9 C LIG 1 -1.452 1.499 -2.324 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -2.011 1.373 -1.056 0.00 0.00 +0.009 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -2.975 -0.454 1.555 0.00 0.00 +0.056 A ATOM 12 C LIG 1 -1.955 0.447 1.257 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -1.516 1.205 2.344 0.00 0.00 +0.129 A ATOM 14 N LIG 1 -2.022 1.095 3.582 0.00 0.00 -0.199 NA ATOM 15 C LIG 1 -2.990 0.198 3.757 0.00 0.00 +0.214 A ATOM 16 N LIG 1 -3.506 -0.567 2.796 0.00 0.00 -0.219 NA BRANCH 13 17 ATOM 17 N LIG 1 -0.459 2.114 2.225 0.00 0.00 -0.343 N ATOM 18 H LIG 1 -0.581 2.743 1.439 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -0.363 2.599 3.113 0.00 0.00 +0.144 HD ENDBRANCH 13 17 BRANCH 15 20 ATOM 20 N LIG 1 -3.539 0.086 5.018 0.00 0.00 -0.327 N ATOM 21 H LIG 1 -3.404 0.945 5.530 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -4.478 -0.279 4.948 0.00 0.00 +0.145 HD ENDBRANCH 15 20 BRANCH 11 24 ATOM 23 C LIG 1 -4.896 -0.846 -0.013 0.00 0.00 +0.010 C ATOM 24 C LIG 1 -3.576 -1.379 0.524 0.00 0.00 +0.053 C ENDBRANCH 11 24 ENDBRANCH 1 12 BRANCH 4 25 ATOM 25 C LIG 1 2.548 -1.066 -0.930 0.00 0.00 +0.116 C BRANCH 25 26 ATOM 26 C LIG 1 3.260 0.027 -0.139 0.00 0.00 +0.139 C BRANCH 26 27 ATOM 27 C LIG 1 4.140 -0.581 0.919 0.00 0.00 +0.308 C ATOM 28 O LIG 1 4.364 -1.775 1.056 0.00 0.00 -0.251 OA BRANCH 27 29 ATOM 29 O LIG 1 4.671 0.408 1.694 0.00 0.00 -0.468 OA ATOM 30 C LIG 1 5.518 -0.066 2.743 0.00 0.00 +0.280 C ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 8