REMARK Name = BDB000266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.829 3.442 1.072 0.00 0.00 +0.042 C ATOM 2 C LIG 1 3.970 2.571 1.663 0.00 0.00 +0.094 C ATOM 3 C LIG 1 3.722 2.201 3.146 0.00 0.00 +0.103 C ATOM 4 N LIG 1 3.046 3.230 3.951 0.00 0.00 -0.314 NA ATOM 5 H LIG 1 3.434 3.221 4.895 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 3.175 4.558 3.367 0.00 0.00 +0.081 C ATOM 7 C LIG 1 2.475 4.622 2.007 0.00 0.00 +0.025 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -0.604 1.086 -0.207 0.00 0.00 +0.121 A ATOM 9 C LIG 1 0.281 1.634 -1.136 0.00 0.00 +0.046 A ATOM 10 C LIG 1 1.372 2.402 -0.721 0.00 0.00 +0.007 A ATOM 11 C LIG 1 1.602 2.638 0.642 0.00 0.00 -0.042 A ATOM 12 C LIG 1 0.705 2.089 1.568 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.388 1.321 1.148 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 -1.620 0.358 -0.757 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 -2.580 -0.259 0.102 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 -3.704 0.707 0.478 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 -4.510 1.164 -0.738 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 -5.158 0.066 -1.377 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 -6.434 -0.241 -0.807 0.00 0.00 +0.198 C BRANCH 19 21 ATOM 20 C LIG 1 -8.293 -1.944 -0.964 0.00 0.00 +0.125 A ATOM 21 C LIG 1 -7.050 -1.473 -1.434 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -6.415 -2.159 -2.483 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -6.996 -3.291 -3.052 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -8.220 -3.752 -2.581 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -8.868 -3.082 -1.541 0.00 0.00 +0.046 A BRANCH 20 27 ATOM 26 C LIG 1 -10.119 -1.649 0.544 0.00 0.00 +0.277 C ATOM 27 O LIG 1 -8.853 -1.221 0.059 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 28 ATOM 28 N LIG 1 4.261 1.389 0.852 0.00 0.00 -0.307 N ATOM 29 H LIG 1 3.495 0.982 0.333 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 5.470 0.734 0.927 0.00 0.00 +0.244 C ATOM 31 O LIG 1 6.419 1.156 1.577 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 5.595 -0.531 0.149 0.00 0.00 +0.037 A ATOM 33 C LIG 1 6.874 -0.919 -0.274 0.00 0.00 +0.021 A ATOM 34 C LIG 1 7.063 -2.098 -1.012 0.00 0.00 -0.017 A ATOM 35 C LIG 1 5.947 -2.907 -1.323 0.00 0.00 -0.018 A ATOM 36 C LIG 1 6.138 -4.086 -2.063 0.00 0.00 +0.008 A ATOM 37 C LIG 1 7.412 -4.461 -2.490 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.512 -3.665 -2.183 0.00 0.00 +0.001 A ATOM 39 C LIG 1 4.672 -2.519 -0.882 0.00 0.00 +0.009 A ATOM 40 C LIG 1 8.339 -2.490 -1.448 0.00 0.00 +0.008 A ATOM 41 C LIG 1 4.495 -1.343 -0.147 0.00 0.00 +0.013 A ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 11