REMARK Name = BDB016856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.388 -0.747 0.197 0.00 0.00 -0.252 N ATOM 2 C LIG 1 -0.536 0.400 0.683 0.00 0.00 +0.161 C ATOM 3 C LIG 1 0.812 -0.166 0.461 0.00 0.00 +0.077 A ATOM 4 C LIG 1 0.774 -1.389 -0.126 0.00 0.00 +0.149 A ATOM 5 N LIG 1 2.010 -1.892 -0.323 0.00 0.00 -0.227 NA ATOM 6 C LIG 1 2.833 -0.978 0.180 0.00 0.00 +0.114 A ATOM 7 N LIG 1 2.123 0.120 0.688 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -0.588 -1.807 -0.338 0.00 0.00 +0.272 C ATOM 9 O LIG 1 -0.938 -2.864 -0.839 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 -5.506 1.345 2.047 0.00 0.00 +0.047 C ATOM 11 C LIG 1 -4.852 0.281 1.204 0.00 0.00 -0.004 A ATOM 12 C LIG 1 -5.612 -0.714 0.513 0.00 0.00 +0.164 A ATOM 13 N LIG 1 -4.929 -1.667 -0.217 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -5.907 -2.479 -0.749 0.00 0.00 +0.135 A ATOM 15 N LIG 1 -7.091 -2.043 -0.367 0.00 0.00 -0.134 NA ATOM 16 C LIG 1 -5.637 -3.652 -1.610 0.00 0.00 +0.088 C ATOM 17 C LIG 1 -3.544 -1.704 -0.332 0.00 0.00 +0.118 A ATOM 18 C LIG 1 -2.782 -0.776 0.286 0.00 0.00 +0.055 A ATOM 19 N LIG 1 -6.906 -0.934 0.426 0.00 0.00 -0.129 NA ATOM 20 C LIG 1 -3.502 0.229 1.087 0.00 0.00 +0.032 A ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 -0.785 1.680 -0.101 0.00 0.00 -0.021 A ATOM 22 C LIG 1 -0.710 1.710 -1.506 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -0.943 2.894 -2.210 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.256 4.061 -1.519 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 -1.538 5.520 -2.384 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 -1.337 4.055 -0.129 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -1.103 2.871 0.577 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 4.339 -1.119 0.185 0.00 0.00 +0.059 C ATOM 29 C LIG 1 4.769 -2.599 0.138 0.00 0.00 +0.039 C ATOM 30 C LIG 1 5.025 -3.034 -1.297 0.00 0.00 +0.160 C ATOM 31 O LIG 1 6.098 -2.304 -1.900 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 6.257 -0.965 -1.440 0.00 0.00 +0.160 C ATOM 33 C LIG 1 4.951 -0.332 -0.985 0.00 0.00 +0.039 C ENDBRANCH 6 28 BRANCH 7 34 ATOM 34 C LIG 1 2.699 1.296 1.331 0.00 0.00 +0.083 C ATOM 35 C LIG 1 2.035 1.637 2.665 0.00 0.00 +0.030 C ATOM 36 C LIG 1 2.744 2.502 0.395 0.00 0.00 +0.030 C ENDBRANCH 7 34 TORSDOF 4