REMARK Name = BDB031014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.957 -0.104 0.825 0.00 0.00 +0.161 C ATOM 2 C LIG 1 1.422 0.027 0.788 0.00 0.00 +0.239 C ATOM 3 O LIG 1 0.878 1.075 0.419 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.673 -1.077 1.122 0.00 0.00 -0.262 N ATOM 5 C LIG 1 1.147 -2.319 1.665 0.00 0.00 +0.209 C ATOM 6 C LIG 1 -0.133 -3.011 2.130 0.00 0.00 +0.061 C ATOM 7 C LIG 1 -1.241 -2.536 1.169 0.00 0.00 +0.002 C ATOM 8 C LIG 1 -1.563 -3.630 0.136 0.00 0.00 +0.009 C ATOM 9 C LIG 1 -2.450 -4.630 0.881 0.00 0.00 +0.001 C ATOM 10 C LIG 1 -3.088 -3.852 2.030 0.00 0.00 +0.001 C ATOM 11 C LIG 1 -2.590 -2.416 1.892 0.00 0.00 +0.009 C ATOM 12 O LIG 1 1.909 -2.101 2.840 0.00 0.00 -0.359 OA ATOM 13 C LIG 1 3.280 -1.823 2.621 0.00 0.00 +0.164 C ATOM 14 C LIG 1 -0.712 -1.177 0.642 0.00 0.00 +0.171 C ATOM 15 C LIG 1 3.483 -0.372 2.229 0.00 0.00 +0.060 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 4.810 1.241 -0.173 0.00 0.00 +0.230 C ATOM 17 N LIG 1 3.519 1.129 0.286 0.00 0.00 -0.303 N ATOM 18 H LIG 1 2.940 1.968 0.276 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 5.605 0.305 -0.159 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 5.132 2.634 -0.761 0.00 0.00 +0.137 C ATOM 21 C LIG 1 6.628 2.821 -1.002 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 5.103 3.877 1.368 0.00 0.00 +0.101 C ATOM 23 N LIG 1 4.511 3.718 0.044 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 4.619 4.596 -0.465 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 14 25 ATOM 25 C LIG 1 -0.688 -1.129 -0.908 0.00 0.00 +0.235 C ATOM 26 N LIG 1 -1.760 -0.651 -1.601 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -1.599 -0.633 -2.602 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 0.259 -1.589 -1.555 0.00 0.00 -0.274 OA BRANCH 26 29 ATOM 29 C LIG 1 -2.959 0.028 -1.125 0.00 0.00 +0.103 C ATOM 30 C LIG 1 -3.031 1.455 -1.645 0.00 0.00 -0.024 A ATOM 31 C LIG 1 -4.245 2.009 -2.102 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -4.277 3.339 -2.554 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -3.130 4.129 -2.524 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -1.938 3.600 -2.043 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.516 1.198 -2.166 0.00 0.00 +0.035 C ATOM 36 C LIG 1 -5.471 -0.046 -1.285 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -1.890 2.277 -1.603 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -4.180 -0.811 -1.532 0.00 0.00 +0.027 C ENDBRANCH 26 29 ENDBRANCH 14 25 TORSDOF 5