REMARK Name = BDB018117 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.188 -2.508 2.746 0.00 0.00 +0.063 C ATOM 2 C LIG 1 2.610 -1.091 2.890 0.00 0.00 +0.030 C ATOM 3 C LIG 1 1.633 -0.712 1.780 0.00 0.00 +0.108 C ATOM 4 N LIG 1 0.577 -1.705 1.585 0.00 0.00 -0.301 N ATOM 5 C LIG 1 -0.673 -1.426 1.034 0.00 0.00 +0.216 C ATOM 6 O LIG 1 -1.540 -2.293 0.931 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 0.862 -3.086 1.972 0.00 0.00 +0.108 C ATOM 8 C LIG 1 2.343 -3.418 1.852 0.00 0.00 +0.030 C ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 4.664 -2.599 2.355 0.00 0.00 +0.166 C ATOM 10 O LIG 1 5.363 -3.548 2.708 0.00 0.00 -0.292 OA BRANCH 9 15 ATOM 11 C LIG 1 6.591 0.407 0.009 0.00 0.00 +0.062 A ATOM 12 C LIG 1 5.460 -0.247 -0.522 0.00 0.00 -0.036 A ATOM 13 C LIG 1 4.914 0.060 -1.890 0.00 0.00 +0.044 C ATOM 14 C LIG 1 4.838 -1.246 0.247 0.00 0.00 +0.015 A ATOM 15 C LIG 1 5.302 -1.549 1.531 0.00 0.00 +0.018 A ATOM 16 C LIG 1 6.417 -0.891 2.054 0.00 0.00 +0.012 A ATOM 17 C LIG 1 7.053 0.094 1.298 0.00 0.00 +0.016 A BRANCH 11 18 ATOM 18 C LIG 1 7.347 1.450 -0.723 0.00 0.00 +0.339 C ATOM 19 O LIG 1 7.694 2.506 -0.221 0.00 0.00 -0.245 OA BRANCH 18 21 ATOM 20 C LIG 1 8.447 1.910 -2.729 0.00 0.00 +0.280 C ATOM 21 O LIG 1 7.643 1.007 -1.968 0.00 0.00 -0.464 OA ENDBRANCH 18 21 ENDBRANCH 11 18 ENDBRANCH 9 15 ENDBRANCH 1 9 BRANCH 5 22 ATOM 22 C LIG 1 -0.912 0.013 0.573 0.00 0.00 +0.102 C BRANCH 22 23 ATOM 23 C LIG 1 -2.237 0.298 -0.196 0.00 0.00 -0.020 C ATOM 24 C LIG 1 -2.320 -0.572 -1.466 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -2.181 1.778 -0.648 0.00 0.00 +0.012 C BRANCH 23 26 ATOM 26 C LIG 1 -3.453 0.099 0.751 0.00 0.00 +0.081 C BRANCH 26 27 ATOM 27 C LIG 1 -4.803 0.241 0.079 0.00 0.00 +0.111 A ATOM 28 N LIG 1 -5.348 -0.911 -0.417 0.00 0.00 -0.310 N ATOM 29 H LIG 1 -4.873 -1.797 -0.307 0.00 0.00 +0.170 HD ATOM 30 C LIG 1 -6.558 -0.953 -1.061 0.00 0.00 +0.259 A ATOM 31 O LIG 1 -7.036 -1.998 -1.487 0.00 0.00 -0.267 OA ATOM 32 C LIG 1 -7.247 0.342 -1.207 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -6.618 1.476 -0.675 0.00 0.00 +0.081 A ATOM 34 C LIG 1 -7.255 2.723 -0.807 0.00 0.00 -0.024 A ATOM 35 C LIG 1 -8.500 2.803 -1.456 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -9.111 1.660 -1.977 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.619 3.965 -0.248 0.00 0.00 +0.046 C ATOM 38 C LIG 1 -8.484 0.423 -1.855 0.00 0.00 +0.015 A ATOM 39 N LIG 1 -5.373 1.397 -0.019 0.00 0.00 -0.233 NA ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 5 22 TORSDOF 8