REMARK Name = BDB016797 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.031 -0.200 -0.177 0.00 0.00 -0.321 N ATOM 2 C LIG 1 0.683 -0.354 -0.071 0.00 0.00 +0.077 A ATOM 3 C LIG 1 -0.574 0.097 -0.706 0.00 0.00 +0.161 C ATOM 4 N LIG 1 -1.568 -0.758 0.038 0.00 0.00 -0.252 N ATOM 5 C LIG 1 -0.933 -1.547 1.049 0.00 0.00 +0.272 C ATOM 6 O LIG 1 -1.420 -2.335 1.844 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 0.472 -1.258 0.919 0.00 0.00 +0.150 A ATOM 8 N LIG 1 1.629 -1.667 1.485 0.00 0.00 -0.221 NA ATOM 9 C LIG 1 2.574 -0.995 0.840 0.00 0.00 +0.160 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.934 -0.797 -0.256 0.00 0.00 +0.054 A ATOM 11 C LIG 1 -3.847 -1.397 0.536 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.205 -1.419 0.245 0.00 0.00 -0.316 N ATOM 13 C LIG 1 -6.100 -2.084 1.179 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -5.734 -0.816 -0.888 0.00 0.00 +0.251 A ATOM 15 O LIG 1 -6.921 -0.786 -1.194 0.00 0.00 -0.268 OA ATOM 16 C LIG 1 -4.742 -0.172 -1.783 0.00 0.00 +0.072 A ATOM 17 C LIG 1 -3.439 -0.177 -1.474 0.00 0.00 +0.030 A ENDBRANCH 4 10 BRANCH 3 18 ATOM 18 C LIG 1 -0.827 1.587 -0.523 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -0.935 2.426 -1.647 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -1.165 3.796 -1.496 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -1.288 4.343 -0.221 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -1.566 6.030 -0.039 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -1.186 3.531 0.904 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -0.957 2.161 0.755 0.00 0.00 +0.007 A ENDBRANCH 3 18 BRANCH 9 25 ATOM 25 C LIG 1 3.958 -1.138 1.183 0.00 0.00 +0.104 A ATOM 26 N LIG 1 4.515 -2.314 1.634 0.00 0.00 -0.264 N ATOM 27 C LIG 1 3.856 -3.584 1.841 0.00 0.00 +0.173 C ATOM 28 N LIG 1 5.843 -2.221 1.874 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 6.118 -0.939 1.642 0.00 0.00 +0.135 A ATOM 30 C LIG 1 4.989 -0.219 1.216 0.00 0.00 +0.052 A ENDBRANCH 9 25 BRANCH 1 32 ATOM 31 C LIG 1 2.290 0.294 -2.612 0.00 0.00 +0.030 C ATOM 32 C LIG 1 2.780 0.544 -1.185 0.00 0.00 +0.083 C ATOM 33 C LIG 1 2.839 2.037 -0.867 0.00 0.00 +0.030 C ENDBRANCH 1 32 TORSDOF 4