REMARK Name = BDB007188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.663 0.948 -0.015 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -3.399 0.398 -0.278 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -2.644 -0.239 0.723 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -1.298 -0.891 0.434 0.00 0.00 +0.142 C ATOM 5 N LIG 1 -0.355 -0.622 1.544 0.00 0.00 -0.260 N ATOM 6 C LIG 1 -0.801 -0.763 2.871 0.00 0.00 +0.225 C ATOM 7 C LIG 1 -2.301 -0.943 3.080 0.00 0.00 +0.131 C ATOM 8 O LIG 1 -0.064 -0.825 3.859 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 -3.136 -0.280 2.027 0.00 0.00 -0.033 A ATOM 10 C LIG 1 -4.381 0.280 2.314 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -5.124 0.900 1.304 0.00 0.00 +0.023 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 -1.427 -2.380 0.067 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -2.147 -2.750 -1.086 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.281 -4.091 -1.460 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.688 -5.086 -0.690 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -1.849 -6.735 -1.150 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -0.961 -4.750 0.447 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.829 -3.408 0.820 0.00 0.00 +0.007 A ENDBRANCH 4 12 BRANCH 5 19 ATOM 19 C LIG 1 1.026 -0.332 1.236 0.00 0.00 +0.037 A ATOM 20 C LIG 1 1.602 -0.690 0.009 0.00 0.00 +0.025 A ATOM 21 C LIG 1 2.942 -0.392 -0.291 0.00 0.00 +0.025 A ATOM 22 C LIG 1 3.763 0.280 0.619 0.00 0.00 +0.030 A ATOM 23 C LIG 1 3.183 0.646 1.839 0.00 0.00 +0.025 A ATOM 24 C LIG 1 1.846 0.348 2.142 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 5.110 0.603 0.372 0.00 0.00 -0.329 N ATOM 26 C LIG 1 6.016 -0.150 1.253 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 5.534 0.685 -1.035 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 C LIG 1 6.755 1.564 -1.193 0.00 0.00 -0.027 A ATOM 29 C LIG 1 7.881 1.115 -1.888 0.00 0.00 +0.025 A ATOM 30 C LIG 1 8.964 1.971 -2.022 0.00 0.00 +0.111 A ATOM 31 N LIG 1 8.999 3.225 -1.523 0.00 0.00 -0.263 NA ATOM 32 C LIG 1 7.900 3.643 -0.860 0.00 0.00 +0.111 A ATOM 33 C LIG 1 6.769 2.864 -0.675 0.00 0.00 +0.025 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 5 19 BRANCH 1 34 ATOM 34 N LIG 1 -5.320 1.615 -1.048 0.00 0.00 -0.341 N ATOM 35 H LIG 1 -5.043 1.282 -1.968 0.00 0.00 +0.146 HD BRANCH 34 37 ATOM 36 C LIG 1 -7.623 0.765 -1.173 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -6.732 1.990 -0.975 0.00 0.00 +0.064 C ATOM 38 C LIG 1 -7.008 3.021 -2.071 0.00 0.00 +0.027 C ENDBRANCH 34 37 ENDBRANCH 1 34 TORSDOF 7