REMARK Name = BDB008038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.033 0.659 -0.186 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.324 1.981 -0.884 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.219 2.374 -2.274 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -0.684 3.689 -2.371 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -0.756 4.401 -3.578 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.323 3.758 -4.736 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.168 2.461 -4.690 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -0.385 4.593 -6.240 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -1.025 4.096 -1.110 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -1.392 5.007 -0.866 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 0.226 1.767 -3.472 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -0.747 3.121 -0.188 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -0.915 3.315 1.228 0.00 0.00 +0.354 C ATOM 14 O LIG 1 -0.554 2.579 2.133 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -1.513 4.497 1.488 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -1.594 4.487 2.465 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 -1.302 0.016 0.474 0.00 0.00 +0.239 C ATOM 18 N LIG 1 -1.056 -1.205 1.083 0.00 0.00 -0.309 N ATOM 19 H LIG 1 -0.126 -1.593 0.975 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 -2.402 0.563 0.504 0.00 0.00 -0.273 OA BRANCH 18 21 ATOM 21 C LIG 1 -2.051 -2.023 1.788 0.00 0.00 +0.026 C ATOM 22 C LIG 1 -2.637 -1.264 2.990 0.00 0.00 +0.031 C ATOM 23 C LIG 1 -1.344 -3.286 2.314 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -3.175 -2.458 0.835 0.00 0.00 +0.031 C ENDBRANCH 18 21 ENDBRANCH 1 17 BRANCH 1 25 ATOM 25 N LIG 1 0.686 -0.320 -1.015 0.00 0.00 -0.282 N ATOM 26 C LIG 1 -0.013 -1.088 -1.933 0.00 0.00 +0.329 C ATOM 27 O LIG 1 0.468 -1.973 -2.629 0.00 0.00 -0.279 OA BRANCH 25 29 ATOM 28 C LIG 1 2.951 0.756 -0.865 0.00 0.00 +0.033 C ATOM 29 C LIG 1 2.130 -0.540 -0.831 0.00 0.00 +0.104 C BRANCH 29 30 ATOM 30 C LIG 1 2.386 -1.421 0.387 0.00 0.00 -0.027 A ATOM 31 C LIG 1 2.656 -0.899 1.662 0.00 0.00 +0.007 A ATOM 32 C LIG 1 2.837 -1.749 2.757 0.00 0.00 +0.020 A ATOM 33 C LIG 1 2.749 -3.128 2.590 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 2.962 -4.170 3.942 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 2.480 -3.667 1.337 0.00 0.00 +0.020 A ATOM 36 C LIG 1 2.296 -2.818 0.243 0.00 0.00 +0.007 A ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 8