REMARK Name = BDB011263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.101 0.414 1.172 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.334 -0.119 0.124 0.00 0.00 -0.338 N ATOM 3 C LIG 1 0.026 -0.052 0.510 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.313 -0.405 -0.042 0.00 0.00 +0.154 C ATOM 5 N LIG 1 -2.171 0.141 1.056 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -1.429 0.724 2.102 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -1.846 1.308 3.088 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.055 0.560 1.729 0.00 0.00 +0.060 A ATOM 9 C LIG 1 1.232 0.843 2.173 0.00 0.00 +0.041 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -1.522 -1.897 -0.231 0.00 0.00 -0.021 A ATOM 11 C LIG 1 -1.381 -2.801 0.839 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -1.580 -4.171 0.650 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -1.925 -4.652 -0.609 0.00 0.00 +0.041 A ATOM 14 CL LIG 1 -2.168 -6.338 -0.844 0.00 0.00 -0.084 Cl ATOM 15 C LIG 1 -2.075 -3.776 -1.681 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -1.875 -2.405 -1.493 0.00 0.00 +0.007 A ENDBRANCH 4 10 BRANCH 1 20 ATOM 17 C LIG 1 6.267 0.616 1.262 0.00 0.00 +0.321 A ATOM 18 N LIG 1 5.642 1.514 0.486 0.00 0.00 -0.159 NA ATOM 19 C LIG 1 4.295 1.441 0.471 0.00 0.00 +0.230 A ATOM 20 C LIG 1 3.561 0.501 1.180 0.00 0.00 +0.078 A ATOM 21 C LIG 1 4.321 -0.360 1.943 0.00 0.00 +0.131 A ATOM 22 N LIG 1 5.668 -0.331 1.997 0.00 0.00 -0.202 NA BRANCH 17 24 ATOM 23 C LIG 1 8.246 1.663 0.597 0.00 0.00 +0.280 C ATOM 24 O LIG 1 7.643 0.612 1.337 0.00 0.00 -0.466 OA ENDBRANCH 17 24 BRANCH 19 25 ATOM 25 O LIG 1 3.590 2.331 -0.323 0.00 0.00 -0.479 OA ATOM 26 C LIG 1 4.406 3.338 -0.911 0.00 0.00 +0.279 C ENDBRANCH 19 25 ENDBRANCH 1 20 BRANCH 5 27 ATOM 27 C LIG 1 -3.581 0.501 0.895 0.00 0.00 +0.078 C ATOM 28 C LIG 1 -4.428 -0.548 0.164 0.00 0.00 +0.025 C ATOM 29 C LIG 1 -5.891 -0.121 0.079 0.00 0.00 +0.033 C ATOM 30 C LIG 1 -6.037 1.246 -0.587 0.00 0.00 +0.115 C ATOM 31 C LIG 1 -5.187 2.302 0.116 0.00 0.00 +0.033 C ATOM 32 C LIG 1 -3.724 1.877 0.220 0.00 0.00 +0.025 C BRANCH 30 33 ATOM 33 O LIG 1 -7.407 1.625 -0.543 0.00 0.00 -0.392 OA ATOM 34 H LIG 1 -7.485 2.509 -0.940 0.00 0.00 +0.210 HD ENDBRANCH 30 33 ENDBRANCH 5 27 BRANCH 2 35 ATOM 35 C LIG 1 1.880 -0.634 -1.134 0.00 0.00 +0.081 C ATOM 36 C LIG 1 1.153 -0.119 -2.375 0.00 0.00 +0.030 C ATOM 37 C LIG 1 2.007 -2.156 -1.125 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 7