REMARK Name = BDB017524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.157 -1.735 -0.974 0.00 0.00 +0.252 C ATOM 2 C LIG 1 -0.366 -1.048 -2.089 0.00 0.00 +0.195 C ATOM 3 C LIG 1 0.695 -0.288 -1.314 0.00 0.00 +0.179 C ATOM 4 C LIG 1 0.984 -1.229 -0.138 0.00 0.00 +0.185 C ATOM 5 O LIG 1 -0.217 -2.006 0.095 0.00 0.00 -0.345 OA ENDROOT BRANCH 1 10 ATOM 6 C LIG 1 -4.537 1.653 0.076 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -3.902 0.406 0.172 0.00 0.00 +0.058 A ATOM 8 C LIG 1 -4.112 -0.788 0.911 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -3.120 -1.673 0.555 0.00 0.00 +0.091 A ATOM 10 N LIG 1 -2.303 -1.061 -0.380 0.00 0.00 -0.303 N ATOM 11 C LIG 1 -2.781 0.204 -0.626 0.00 0.00 +0.148 A ATOM 12 N LIG 1 -2.264 1.099 -1.485 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -2.952 2.253 -1.488 0.00 0.00 +0.225 A ATOM 14 N LIG 1 -4.039 2.577 -0.766 0.00 0.00 -0.220 NA BRANCH 6 15 ATOM 15 N LIG 1 -5.655 2.006 0.819 0.00 0.00 -0.343 N ATOM 16 H LIG 1 -5.775 3.013 0.818 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 -5.721 1.549 1.718 0.00 0.00 +0.144 HD ENDBRANCH 6 15 ENDBRANCH 1 10 BRANCH 2 18 ATOM 18 O LIG 1 0.293 -2.034 -2.920 0.00 0.00 -0.385 OA ATOM 19 H LIG 1 0.598 -1.546 -3.709 0.00 0.00 +0.210 HD ENDBRANCH 2 18 BRANCH 3 20 ATOM 20 O LIG 1 1.843 -0.040 -2.130 0.00 0.00 -0.386 OA ATOM 21 H LIG 1 2.210 -0.911 -2.369 0.00 0.00 +0.210 HD ENDBRANCH 3 20 BRANCH 4 22 ATOM 22 C LIG 1 1.387 -0.528 1.178 0.00 0.00 +0.176 C BRANCH 22 23 ATOM 23 C LIG 1 2.832 -0.072 1.204 0.00 0.00 -0.017 A ATOM 24 C LIG 1 3.806 -0.866 1.831 0.00 0.00 +0.007 A ATOM 25 C LIG 1 5.144 -0.464 1.853 0.00 0.00 +0.020 A ATOM 26 C LIG 1 5.519 0.732 1.246 0.00 0.00 +0.041 A ATOM 27 CL LIG 1 7.168 1.224 1.273 0.00 0.00 -0.084 Cl ATOM 28 C LIG 1 4.568 1.529 0.616 0.00 0.00 +0.020 A ATOM 29 C LIG 1 3.230 1.129 0.594 0.00 0.00 +0.007 A ENDBRANCH 22 23 BRANCH 22 30 ATOM 30 O LIG 1 0.516 0.568 1.472 0.00 0.00 -0.385 OA ATOM 31 H LIG 1 0.919 1.062 2.207 0.00 0.00 +0.210 HD ENDBRANCH 22 30 ENDBRANCH 4 22 TORSDOF 7