REMARK Name = BDB058727 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.448 0.866 -0.127 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.377 2.065 -0.288 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.338 2.546 0.687 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -3.016 3.622 0.118 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -4.046 4.318 0.766 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -4.386 3.911 2.056 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.721 2.861 2.675 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -5.642 4.736 2.898 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -2.471 3.827 -1.118 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -2.743 4.558 -1.762 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -2.697 2.178 2.005 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -1.410 2.981 -1.349 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -0.577 3.131 -2.514 0.00 0.00 +0.354 C ATOM 14 O LIG 1 0.473 2.579 -2.800 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -1.089 4.069 -3.345 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -0.436 4.081 -4.076 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -2.090 -0.862 0.581 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -2.523 -0.599 -0.308 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -0.919 -0.203 0.896 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -0.267 -0.444 1.914 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -3.967 -2.409 0.591 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -2.668 -1.997 1.308 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -1.703 -3.193 1.292 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -3.017 -1.619 2.755 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 -0.123 0.204 -1.409 0.00 0.00 -0.288 N ATOM 26 C LIG 1 -1.098 -0.274 -2.260 0.00 0.00 +0.329 C ATOM 27 O LIG 1 -2.307 -0.221 -2.069 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 1.272 -0.170 -1.645 0.00 0.00 +0.110 C BRANCH 28 29 ATOM 29 C LIG 1 1.625 -1.514 -1.003 0.00 0.00 +0.034 C BRANCH 29 30 ATOM 30 C LIG 1 3.056 -1.965 -1.322 0.00 0.00 +0.086 C BRANCH 30 31 ATOM 31 N LIG 1 4.080 -0.998 -0.911 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 4.261 -0.914 0.557 0.00 0.00 +0.112 C ATOM 33 C LIG 1 5.514 -1.644 1.070 0.00 0.00 +0.175 C ATOM 34 O LIG 1 6.731 -1.164 0.483 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 6.548 -0.638 -0.838 0.00 0.00 +0.175 C ATOM 36 C LIG 1 5.370 -1.289 -1.575 0.00 0.00 +0.112 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 10