REMARK Name = BDB038471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.711 1.047 -2.639 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.501 0.502 -2.443 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.256 -0.111 -1.272 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.235 -0.272 -0.301 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -2.506 0.252 -0.529 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.732 0.955 -1.710 0.00 0.00 +0.053 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.590 0.045 0.434 0.00 0.00 +0.079 A ATOM 8 N LIG 1 -4.787 -0.566 0.108 0.00 0.00 -0.266 N ATOM 9 C LIG 1 -5.173 -1.145 -1.159 0.00 0.00 +0.173 C ATOM 10 N LIG 1 -5.664 -0.623 1.128 0.00 0.00 -0.179 NA ATOM 11 C LIG 1 -4.998 -0.086 2.148 0.00 0.00 +0.146 A ATOM 12 C LIG 1 -3.705 0.337 1.788 0.00 0.00 +0.064 A BRANCH 12 13 ATOM 13 C LIG 1 -2.619 1.006 2.691 0.00 0.00 +0.167 A ATOM 14 N LIG 1 -2.694 1.322 4.025 0.00 0.00 -0.316 N ATOM 15 C LIG 1 -3.797 1.146 4.928 0.00 0.00 +0.152 C ATOM 16 C LIG 1 -1.490 1.861 4.362 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -0.710 1.885 3.309 0.00 0.00 -0.138 NA ATOM 18 N LIG 1 -1.422 1.357 2.260 0.00 0.00 -0.129 NA ENDBRANCH 12 13 ENDBRANCH 5 7 BRANCH 3 19 ATOM 19 N LIG 1 1.022 -0.593 -0.983 0.00 0.00 -0.265 N ATOM 20 H LIG 1 1.205 -0.917 -0.039 0.00 0.00 +0.157 HD ATOM 21 C LIG 1 2.108 -0.582 -1.831 0.00 0.00 +0.268 C ATOM 22 O LIG 1 2.142 -0.255 -3.010 0.00 0.00 -0.268 OA BRANCH 21 23 ATOM 23 C LIG 1 3.366 -1.050 -1.165 0.00 0.00 +0.129 A ATOM 24 N LIG 1 3.257 -1.385 0.146 0.00 0.00 -0.227 NA ATOM 25 C LIG 1 4.384 -1.789 0.757 0.00 0.00 +0.133 A ATOM 26 N LIG 1 5.572 -1.873 0.120 0.00 0.00 -0.237 NA ATOM 27 C LIG 1 5.637 -1.532 -1.185 0.00 0.00 +0.042 A ATOM 28 C LIG 1 6.969 -1.643 -1.862 0.00 0.00 +0.066 C ATOM 29 C LIG 1 4.534 -1.114 -1.888 0.00 0.00 +0.056 A BRANCH 25 30 ATOM 30 C LIG 1 4.290 -2.166 2.220 0.00 0.00 +0.057 C ATOM 31 C LIG 1 5.512 -2.211 3.108 0.00 0.00 +0.012 C ATOM 32 C LIG 1 4.841 -3.490 2.698 0.00 0.00 +0.012 C ENDBRANCH 25 30 ENDBRANCH 21 23 ENDBRANCH 3 19 BRANCH 1 33 ATOM 33 N LIG 1 -1.890 1.710 -3.861 0.00 0.00 -0.329 N ATOM 34 H LIG 1 -1.010 1.495 -4.342 0.00 0.00 +0.147 HD BRANCH 33 36 ATOM 35 C LIG 1 -2.063 3.832 -5.037 0.00 0.00 +0.024 C ATOM 36 C LIG 1 -1.982 3.158 -3.676 0.00 0.00 +0.099 C ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 7