REMARK Name = BDB011343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.133 -0.294 -0.661 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.030 0.306 -0.047 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.022 -0.555 -0.184 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.465 -0.587 0.183 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -1.833 -1.954 -0.358 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -0.711 -2.599 -0.961 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -0.617 -3.698 -1.478 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.384 -1.681 -0.829 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.734 -1.544 -1.137 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.106 -2.520 -0.219 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.057 -1.991 0.576 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.320 -2.543 0.726 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.262 -1.887 1.621 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -5.712 -3.712 0.068 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -6.817 -4.231 0.204 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -4.676 -4.299 -0.836 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -5.084 -5.713 -1.732 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -3.471 -3.723 -0.954 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.264 0.551 -0.452 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -2.907 1.557 0.311 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -2.865 1.616 1.817 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -3.591 2.594 -0.355 0.00 0.00 +0.023 A ATOM 23 C LIG 1 -3.662 2.630 -1.746 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -4.509 3.908 -2.525 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -3.049 1.644 -2.503 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -2.355 0.617 -1.862 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 30 ATOM 27 C LIG 1 5.950 1.330 -1.088 0.00 0.00 +0.321 A ATOM 28 N LIG 1 5.742 0.564 -0.008 0.00 0.00 -0.159 NA ATOM 29 C LIG 1 4.503 0.045 0.116 0.00 0.00 +0.230 A ATOM 30 C LIG 1 3.469 0.283 -0.778 0.00 0.00 +0.078 A ATOM 31 C LIG 1 3.819 1.070 -1.856 0.00 0.00 +0.131 A ATOM 32 N LIG 1 5.040 1.615 -2.029 0.00 0.00 -0.202 NA BRANCH 27 34 ATOM 33 C LIG 1 8.145 1.536 -0.317 0.00 0.00 +0.280 C ATOM 34 O LIG 1 7.183 1.909 -1.293 0.00 0.00 -0.466 OA ENDBRANCH 27 34 BRANCH 29 35 ATOM 35 O LIG 1 4.221 -0.750 1.214 0.00 0.00 -0.479 OA ATOM 36 C LIG 1 5.356 -1.019 2.030 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 1 30 BRANCH 2 37 ATOM 37 C LIG 1 0.950 1.610 0.611 0.00 0.00 +0.081 C ATOM 38 C LIG 1 0.956 2.770 -0.382 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.963 1.813 1.737 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6