REMARK Name = BDB028900 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.618 -1.312 -1.725 0.00 0.00 +0.155 C ATOM 2 N LIG 1 -3.628 -0.844 -0.771 0.00 0.00 -0.284 N ATOM 3 C LIG 1 -3.657 0.530 -0.462 0.00 0.00 +0.265 A ATOM 4 O LIG 1 -4.484 1.320 -0.909 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -2.609 0.938 0.444 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -2.232 2.174 1.040 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -1.130 1.904 1.838 0.00 0.00 +0.097 A ATOM 8 N LIG 1 -0.842 0.565 1.735 0.00 0.00 -0.322 N ATOM 9 C LIG 1 -1.741 -0.025 0.892 0.00 0.00 +0.151 A ATOM 10 N LIG 1 -1.726 -1.338 0.587 0.00 0.00 -0.198 NA ATOM 11 C LIG 1 -2.683 -1.732 -0.219 0.00 0.00 +0.200 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -2.798 3.506 0.912 0.00 0.00 -0.013 A ATOM 13 C LIG 1 -3.068 4.275 2.054 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -3.616 5.567 1.952 0.00 0.00 +0.080 A ATOM 15 C LIG 1 -3.892 6.086 0.680 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -3.619 5.317 -0.460 0.00 0.00 +0.084 A ATOM 17 CL LIG 1 -3.948 5.951 -2.033 0.00 0.00 -0.080 Cl ATOM 18 C LIG 1 -3.075 4.038 -0.349 0.00 0.00 +0.032 A BRANCH 14 19 ATOM 19 C LIG 1 -3.862 6.293 3.234 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -3.577 5.798 4.319 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -4.415 7.536 3.170 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -4.578 8.045 4.026 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -4.641 7.963 2.277 0.00 0.00 +0.145 HD ENDBRANCH 14 19 BRANCH 15 24 ATOM 24 O LIG 1 -4.428 7.344 0.530 0.00 0.00 -0.505 OA ATOM 25 H LIG 1 -4.546 7.492 -0.430 0.00 0.00 +0.292 HD ENDBRANCH 15 24 ENDBRANCH 6 12 BRANCH 11 26 ATOM 26 N LIG 1 -2.768 -3.066 -0.544 0.00 0.00 -0.314 N ATOM 27 H LIG 1 -3.670 -3.401 -0.851 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.006 -4.078 0.160 0.00 0.00 +0.108 C BRANCH 28 29 ATOM 29 C LIG 1 -2.177 -5.382 -0.558 0.00 0.00 +0.006 C ATOM 30 C LIG 1 -2.093 -6.687 0.193 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -3.415 -6.221 -0.355 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 11 26 BRANCH 8 32 ATOM 32 C LIG 1 0.228 -0.129 2.429 0.00 0.00 +0.219 C BRANCH 32 33 ATOM 33 C LIG 1 1.494 -0.218 1.599 0.00 0.00 +0.237 C ATOM 34 N LIG 1 1.359 -0.942 0.424 0.00 0.00 -0.283 N ATOM 35 H LIG 1 0.409 -1.215 0.157 0.00 0.00 +0.155 HD ATOM 36 O LIG 1 2.533 0.303 2.002 0.00 0.00 -0.274 OA BRANCH 34 37 ATOM 37 C LIG 1 2.371 -1.229 -0.530 0.00 0.00 +0.057 A ATOM 38 C LIG 1 2.010 -1.776 -1.762 0.00 0.00 +0.080 A ATOM 39 CL LIG 1 0.374 -2.091 -2.197 0.00 0.00 -0.080 Cl ATOM 40 C LIG 1 3.014 -2.060 -2.670 0.00 0.00 +0.134 A ATOM 41 N LIG 1 4.329 -1.840 -2.441 0.00 0.00 -0.239 NA ATOM 42 C LIG 1 4.694 -1.299 -1.259 0.00 0.00 +0.123 A ATOM 43 C LIG 1 3.731 -1.007 -0.288 0.00 0.00 +0.068 A BRANCH 42 44 ATOM 44 N LIG 1 6.045 -1.091 -1.014 0.00 0.00 -0.311 N ATOM 45 C LIG 1 6.981 -1.546 -2.054 0.00 0.00 +0.134 C ATOM 46 C LIG 1 8.423 -1.323 -1.573 0.00 0.00 +0.178 C ATOM 47 O LIG 1 8.740 0.051 -1.296 0.00 0.00 -0.377 OA ATOM 48 C LIG 1 7.586 0.854 -1.016 0.00 0.00 +0.178 C ATOM 49 C LIG 1 6.473 0.103 -0.263 0.00 0.00 +0.134 C ENDBRANCH 42 44 ENDBRANCH 34 37 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 10