REMARK Name = BDB007270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.014 0.942 1.401 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -4.737 0.634 0.063 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -3.449 0.273 -0.336 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -2.413 0.166 0.604 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -1.029 -0.288 0.181 0.00 0.00 +0.142 C ATOM 6 N LIG 1 0.067 0.145 1.083 0.00 0.00 -0.260 N ATOM 7 C LIG 1 -0.178 0.458 2.425 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -1.593 0.314 2.954 0.00 0.00 +0.132 C ATOM 9 O LIG 1 0.683 0.838 3.226 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -2.684 0.455 1.940 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -3.982 0.833 2.336 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -0.990 -1.795 -0.092 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -0.939 -2.737 0.950 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.917 -4.107 0.674 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.949 -4.551 -0.645 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -0.924 -6.237 -0.981 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -1.002 -3.636 -1.693 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.023 -2.266 -1.419 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 1.422 0.076 0.568 0.00 0.00 +0.037 A ATOM 20 C LIG 1 2.510 -0.229 1.399 0.00 0.00 +0.024 A ATOM 21 C LIG 1 3.820 -0.326 0.903 0.00 0.00 +0.007 A ATOM 22 C LIG 1 4.092 -0.124 -0.452 0.00 0.00 -0.027 A ATOM 23 C LIG 1 3.014 0.187 -1.290 0.00 0.00 +0.007 A ATOM 24 C LIG 1 1.706 0.278 -0.791 0.00 0.00 +0.024 A BRANCH 22 25 ATOM 25 C LIG 1 5.496 -0.187 -1.040 0.00 0.00 +0.103 C ATOM 26 C LIG 1 6.434 -1.188 -0.352 0.00 0.00 +0.033 C BRANCH 25 27 ATOM 27 N LIG 1 6.102 1.155 -1.143 0.00 0.00 -0.292 N ATOM 28 C LIG 1 5.990 1.840 -2.356 0.00 0.00 +0.230 C ATOM 29 O LIG 1 5.490 1.334 -3.365 0.00 0.00 -0.274 OA ATOM 30 C LIG 1 6.617 3.241 -2.443 0.00 0.00 +0.177 C ATOM 31 N LIG 1 6.607 3.991 -1.173 0.00 0.00 -0.307 NA ATOM 32 H LIG 1 5.634 4.181 -0.927 0.00 0.00 +0.122 HD ATOM 33 C LIG 1 7.212 3.160 -0.132 0.00 0.00 +0.100 C ATOM 34 C LIG 1 6.382 1.896 0.090 0.00 0.00 +0.123 C ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 36 ATOM 35 C LIG 1 -6.556 1.808 2.999 0.00 0.00 +0.277 C ATOM 36 O LIG 1 -6.297 1.326 1.688 0.00 0.00 -0.491 OA ENDBRANCH 1 36 BRANCH 2 37 ATOM 37 O LIG 1 -5.675 0.750 -0.930 0.00 0.00 -0.486 OA BRANCH 37 38 ATOM 38 C LIG 1 -6.664 -0.291 -0.873 0.00 0.00 +0.167 C ATOM 39 C LIG 1 -8.017 0.346 -1.166 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -6.325 -1.341 -1.929 0.00 0.00 +0.051 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 7