REMARK Name = BDB052764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.787 1.911 0.895 0.00 0.00 +0.033 C ATOM 2 C LIG 1 -1.169 1.105 -0.370 0.00 0.00 +0.096 C ATOM 3 C LIG 1 -1.574 1.872 -1.637 0.00 0.00 +0.094 C ATOM 4 N LIG 1 -1.679 3.326 -1.528 0.00 0.00 -0.315 NA ATOM 5 H LIG 1 -1.666 3.734 -2.463 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -0.607 3.888 -0.724 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -0.787 3.440 0.717 0.00 0.00 +0.024 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 2.925 0.370 2.588 0.00 0.00 +0.121 A ATOM 9 C LIG 1 1.684 -0.030 3.086 0.00 0.00 +0.046 A ATOM 10 C LIG 1 0.499 0.473 2.542 0.00 0.00 +0.007 A ATOM 11 C LIG 1 0.531 1.394 1.484 0.00 0.00 -0.043 A ATOM 12 C LIG 1 1.781 1.777 0.979 0.00 0.00 +0.007 A ATOM 13 C LIG 1 2.967 1.274 1.530 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 3.997 -0.206 3.211 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 5.307 0.210 2.828 0.00 0.00 +0.270 C BRANCH 15 16 ATOM 16 C LIG 1 5.824 -0.593 1.636 0.00 0.00 +0.270 C BRANCH 16 17 ATOM 17 O LIG 1 7.110 -0.076 1.269 0.00 0.00 -0.486 OA BRANCH 17 23 ATOM 18 C LIG 1 9.495 -3.199 -2.849 0.00 0.00 +0.044 C ATOM 19 C LIG 1 8.886 -2.357 -1.766 0.00 0.00 -0.047 A ATOM 20 C LIG 1 9.120 -2.660 -0.418 0.00 0.00 +0.027 A ATOM 21 C LIG 1 8.527 -1.898 0.594 0.00 0.00 +0.084 A ATOM 22 CL LIG 1 8.885 -2.299 2.237 0.00 0.00 -0.080 Cl ATOM 23 C LIG 1 7.668 -0.840 0.271 0.00 0.00 +0.157 A ATOM 24 C LIG 1 7.446 -0.524 -1.075 0.00 0.00 +0.084 A ATOM 25 CL LIG 1 6.447 0.807 -1.537 0.00 0.00 -0.080 Cl ATOM 26 C LIG 1 8.039 -1.287 -2.086 0.00 0.00 +0.027 A ENDBRANCH 17 23 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 27 ATOM 27 C LIG 1 -2.101 -0.086 -0.098 0.00 0.00 +0.221 C ATOM 28 N LIG 1 -3.420 0.080 0.347 0.00 0.00 -0.294 N ATOM 29 O LIG 1 -1.639 -1.217 -0.310 0.00 0.00 -0.275 OA BRANCH 28 30 ATOM 30 C LIG 1 -3.971 1.333 0.828 0.00 0.00 +0.077 C ATOM 31 C LIG 1 -4.371 2.462 -0.084 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -5.424 1.726 0.668 0.00 0.00 +0.024 C ENDBRANCH 28 30 BRANCH 28 33 ATOM 33 C LIG 1 -4.104 -1.150 0.798 0.00 0.00 +0.143 C BRANCH 33 34 ATOM 34 C LIG 1 -5.461 -1.427 0.172 0.00 0.00 -0.027 A ATOM 35 C LIG 1 -5.646 -1.634 -1.220 0.00 0.00 -0.043 A ATOM 36 C LIG 1 -4.464 -1.594 -2.157 0.00 0.00 +0.044 C ATOM 37 C LIG 1 -6.955 -1.849 -1.720 0.00 0.00 -0.047 A ATOM 38 C LIG 1 -7.231 -2.036 -3.190 0.00 0.00 +0.044 C ATOM 39 C LIG 1 -8.038 -1.919 -0.830 0.00 0.00 +0.003 A ATOM 40 C LIG 1 -7.848 -1.759 0.539 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -6.572 -1.516 1.034 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 2 27 TORSDOF 10