REMARK Name = BDB019603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.448 1.796 -0.158 0.00 0.00 +0.129 A ATOM 2 C LIG 1 0.836 1.490 -0.605 0.00 0.00 +0.059 A ATOM 3 C LIG 1 1.344 0.198 -0.434 0.00 0.00 +0.040 A ATOM 4 C LIG 1 0.556 -0.784 0.181 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -0.729 -0.473 0.660 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.222 0.828 0.490 0.00 0.00 +0.051 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 2.710 -0.097 -0.945 0.00 0.00 +0.244 C ATOM 8 N LIG 1 3.411 -1.081 -0.281 0.00 0.00 -0.307 N ATOM 9 H LIG 1 3.069 -1.408 0.611 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 3.164 0.543 -1.887 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 4.790 -1.367 -0.604 0.00 0.00 +0.140 C BRANCH 11 12 ATOM 12 C LIG 1 5.722 -0.625 0.320 0.00 0.00 -0.029 A ATOM 13 C LIG 1 6.233 -1.241 1.472 0.00 0.00 +0.026 A ATOM 14 C LIG 1 7.079 -0.539 2.340 0.00 0.00 +0.060 A ATOM 15 CL LIG 1 7.667 -1.375 3.734 0.00 0.00 -0.082 Cl ATOM 16 C LIG 1 7.415 0.790 2.065 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 8.450 1.717 3.091 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 6.902 1.413 0.924 0.00 0.00 +0.022 A ATOM 19 C LIG 1 6.059 0.711 0.059 0.00 0.00 +0.007 A ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 O LIG 1 -0.876 3.094 -0.325 0.00 0.00 -0.456 OA BRANCH 20 24 ATOM 21 C LIG 1 -5.190 5.341 0.103 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -4.271 4.417 -0.640 0.00 0.00 -0.047 A ATOM 23 C LIG 1 -2.980 4.164 -0.161 0.00 0.00 +0.049 A ATOM 24 C LIG 1 -2.143 3.271 -0.832 0.00 0.00 +0.129 A ATOM 25 C LIG 1 -2.573 2.645 -2.004 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -3.862 2.882 -2.479 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -4.710 3.756 -1.795 0.00 0.00 +0.003 A ENDBRANCH 20 24 ENDBRANCH 1 20 BRANCH 5 28 ATOM 28 C LIG 1 -1.574 -1.539 1.315 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 N LIG 1 -2.059 -2.447 0.295 0.00 0.00 -0.313 N ATOM 30 H LIG 1 -2.489 -1.965 -0.486 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.740 -3.556 0.656 0.00 0.00 +0.176 C ATOM 32 N LIG 1 -3.342 -4.195 -0.381 0.00 0.00 -0.316 N ATOM 33 H LIG 1 -2.772 -4.231 -1.218 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -3.775 -5.485 0.117 0.00 0.00 +0.127 C ATOM 35 C LIG 1 -3.709 -5.267 1.631 0.00 0.00 +0.163 C ATOM 36 N LIG 1 -2.848 -4.071 1.843 0.00 0.00 -0.255 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 8