REMARK Name = BDB011385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.273 -0.857 0.514 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.286 -0.153 -0.194 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.919 -0.687 0.164 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.359 -0.481 -0.150 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.957 -1.646 0.595 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.972 -2.353 1.342 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -2.090 -3.310 2.088 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.720 -1.729 1.019 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.643 -1.841 1.275 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.310 -1.993 0.544 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -5.188 -1.383 -0.452 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -6.500 -1.661 -0.522 0.00 0.00 +0.107 A ATOM 13 CL LIG 1 -7.510 -0.938 -1.712 0.00 0.00 -0.078 Cl ATOM 14 C LIG 1 -7.104 -2.635 0.432 0.00 0.00 +0.267 A ATOM 15 O LIG 1 -8.293 -2.934 0.436 0.00 0.00 -0.266 OA ATOM 16 N LIG 1 -6.217 -3.196 1.320 0.00 0.00 -0.326 N ATOM 17 H LIG 1 -6.609 -3.865 1.972 0.00 0.00 +0.168 HD ATOM 18 C LIG 1 -4.877 -2.890 1.377 0.00 0.00 +0.109 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.899 0.853 0.350 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -3.489 1.758 -0.550 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -3.997 2.982 -0.105 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.920 3.315 1.244 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -4.541 4.824 1.789 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -3.343 2.434 2.154 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.837 1.210 1.710 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 27 ATOM 26 C LIG 1 3.521 -0.928 -0.622 0.00 0.00 +0.228 A ATOM 27 C LIG 1 2.708 -0.589 0.443 0.00 0.00 +0.078 A ATOM 28 C LIG 1 3.377 0.013 1.481 0.00 0.00 +0.129 A ATOM 29 N LIG 1 4.699 0.284 1.474 0.00 0.00 -0.222 NA ATOM 30 C LIG 1 5.409 -0.069 0.388 0.00 0.00 +0.220 A ATOM 31 N LIG 1 4.844 -0.669 -0.673 0.00 0.00 -0.179 NA BRANCH 30 32 ATOM 32 N LIG 1 6.782 0.175 0.371 0.00 0.00 -0.306 N ATOM 33 C LIG 1 7.378 0.211 -0.954 0.00 0.00 +0.132 C ATOM 34 C LIG 1 7.232 1.177 1.324 0.00 0.00 +0.132 C ENDBRANCH 30 32 BRANCH 26 36 ATOM 35 C LIG 1 3.856 -2.008 -2.679 0.00 0.00 +0.279 C ATOM 36 O LIG 1 2.921 -1.536 -1.713 0.00 0.00 -0.479 OA ENDBRANCH 26 36 ENDBRANCH 1 27 BRANCH 2 37 ATOM 37 C LIG 1 0.550 0.945 -1.126 0.00 0.00 +0.081 C ATOM 38 C LIG 1 0.359 2.311 -0.470 0.00 0.00 +0.030 C ATOM 39 C LIG 1 -0.208 0.824 -2.447 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6