REMARK Name = BDB008153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.395 -0.401 0.520 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.239 -2.631 -0.095 0.00 0.00 +0.234 C ATOM 3 N LIG 1 2.317 -1.259 -0.216 0.00 0.00 -0.302 N ATOM 4 H LIG 1 2.643 -0.895 -1.105 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.523 -3.188 0.738 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.072 -3.416 -1.128 0.00 0.00 +0.156 C ATOM 7 C LIG 1 2.325 -3.470 -2.454 0.00 0.00 +0.038 C BRANCH 6 10 ATOM 8 C LIG 1 4.400 -6.382 0.803 0.00 0.00 +0.109 C ATOM 9 C LIG 1 4.425 -5.041 0.121 0.00 0.00 +0.211 C ATOM 10 N LIG 1 3.292 -4.762 -0.610 0.00 0.00 -0.304 N ATOM 11 H LIG 1 2.450 -5.247 -0.318 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 5.377 -4.274 0.223 0.00 0.00 -0.276 OA ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 0.172 -0.187 -0.397 0.00 0.00 +0.234 C ATOM 14 N LIG 1 -1.037 -0.079 0.256 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -1.030 -0.019 1.267 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 0.284 -0.036 -1.615 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 -2.203 0.491 -0.427 0.00 0.00 +0.159 C BRANCH 17 18 ATOM 18 C LIG 1 -1.969 2.013 -0.331 0.00 0.00 +0.231 C ATOM 19 O LIG 1 -2.247 2.692 0.656 0.00 0.00 -0.274 OA ATOM 20 N LIG 1 -1.260 2.550 -1.372 0.00 0.00 -0.328 N ATOM 21 H LIG 1 -0.887 3.484 -1.234 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -0.675 1.928 -1.928 0.00 0.00 +0.145 HD ENDBRANCH 17 18 BRANCH 17 23 ATOM 23 C LIG 1 -3.489 0.041 0.277 0.00 0.00 +0.034 C BRANCH 23 24 ATOM 24 C LIG 1 -4.758 0.147 -0.595 0.00 0.00 -0.015 C ATOM 25 C LIG 1 -5.949 -0.456 0.155 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -5.086 1.581 -1.010 0.00 0.00 +0.007 C ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 1 27 ATOM 27 C LIG 1 2.056 0.955 0.808 0.00 0.00 +0.033 C BRANCH 27 28 ATOM 28 C LIG 1 1.318 1.771 1.879 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 1.796 3.222 1.939 0.00 0.00 +0.115 C BRANCH 29 30 ATOM 30 N LIG 1 1.390 3.926 0.733 0.00 0.00 -0.356 N ATOM 31 H LIG 1 2.179 4.190 0.149 0.00 0.00 +0.162 HD BRANCH 30 32 ATOM 32 C LIG 1 0.478 4.920 0.706 0.00 0.00 +0.188 C ATOM 33 N LIG 1 0.648 5.909 -0.095 0.00 0.00 -0.269 NA ATOM 34 H LIG 1 -0.116 6.577 0.024 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 -0.587 4.791 1.517 0.00 0.00 -0.370 N ATOM 36 H LIG 1 -1.337 5.445 1.339 0.00 0.00 +0.159 HD ATOM 37 H LIG 1 -0.991 3.852 1.484 0.00 0.00 +0.159 HD ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 14