REMARK Name = BDB011041 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.761 0.490 0.248 0.00 0.00 -0.322 N ATOM 2 C LIG 1 1.869 -0.253 -0.124 0.00 0.00 +0.114 A ATOM 3 C LIG 1 2.781 0.699 -0.545 0.00 0.00 +0.183 A ATOM 4 N LIG 1 3.969 0.422 -1.103 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 4.208 -0.888 -1.202 0.00 0.00 +0.220 A ATOM 6 N LIG 1 3.412 -1.895 -0.776 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 2.341 1.953 -0.272 0.00 0.00 -0.209 NA ATOM 8 C LIG 1 2.227 -1.596 -0.195 0.00 0.00 +0.102 A ATOM 9 C LIG 1 1.170 1.818 0.329 0.00 0.00 +0.150 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 5.488 -1.275 -1.830 0.00 0.00 +0.287 A ATOM 11 O LIG 1 5.715 -2.612 -1.920 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 6.931 -2.699 -2.523 0.00 0.00 +0.436 A ATOM 13 O LIG 1 7.519 -3.728 -2.798 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 7.340 -1.415 -2.750 0.00 0.00 -0.208 N ATOM 15 H LIG 1 8.211 -1.143 -3.186 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 6.425 -0.512 -2.311 0.00 0.00 -0.127 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 1.482 -2.718 0.355 0.00 0.00 +0.022 A ATOM 18 C LIG 1 1.157 -2.800 1.716 0.00 0.00 +0.033 A ATOM 19 C LIG 1 0.454 -3.900 2.199 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 0.026 -3.997 3.858 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 0.098 -4.901 1.311 0.00 0.00 +0.130 A ATOM 22 N LIG 1 0.404 -4.873 -0.006 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 1.104 -3.797 -0.445 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 C LIG 1 0.450 2.968 1.011 0.00 0.00 +0.169 C ATOM 25 C LIG 1 0.039 2.643 2.452 0.00 0.00 +0.048 C ATOM 26 C LIG 1 -0.570 3.856 3.164 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -1.370 4.778 2.243 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -1.863 4.061 0.994 0.00 0.00 +0.004 C ATOM 29 C LIG 1 -0.700 3.520 0.159 0.00 0.00 +0.048 C ATOM 30 F LIG 1 1.342 4.013 1.141 0.00 0.00 -0.234 F ENDBRANCH 9 24 BRANCH 1 31 ATOM 31 C LIG 1 -0.584 -0.032 0.472 0.00 0.00 +0.127 C BRANCH 31 36 ATOM 32 C LIG 1 -4.726 -1.033 -2.118 0.00 0.00 +0.007 C ATOM 33 C LIG 1 -4.158 -0.223 -0.950 0.00 0.00 -0.014 C ATOM 34 C LIG 1 -3.109 0.792 -1.420 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -1.772 0.153 -1.806 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -1.199 -0.788 -0.733 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -2.269 -1.791 -0.267 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -3.579 -1.125 0.147 0.00 0.00 +0.003 C ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 5