REMARK Name = BDB036293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.436 0.992 0.194 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.184 1.661 1.242 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -0.395 2.665 2.194 0.00 0.00 +0.036 C ATOM 4 C LIG 1 0.663 2.688 3.305 0.00 0.00 +0.009 C ATOM 5 C LIG 1 2.000 2.340 2.644 0.00 0.00 +0.036 C ATOM 6 C LIG 1 1.545 1.472 1.512 0.00 0.00 -0.044 A ATOM 7 C LIG 1 2.316 0.588 0.773 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.721 -0.118 -0.280 0.00 0.00 -0.039 A ATOM 9 C LIG 1 0.360 0.129 -0.579 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.911 1.112 -0.090 0.00 0.00 +0.145 C BRANCH 10 22 ATOM 11 C LIG 1 -5.005 0.421 2.122 0.00 0.00 +0.189 C ATOM 12 O LIG 1 -5.887 -0.444 1.381 0.00 0.00 -0.485 OA ATOM 13 C LIG 1 -5.624 -0.857 0.109 0.00 0.00 +0.149 A ATOM 14 C LIG 1 -4.388 -1.225 -0.448 0.00 0.00 +0.165 A ATOM 15 C LIG 1 -4.323 -1.564 -1.806 0.00 0.00 +0.071 A ATOM 16 C LIG 1 -5.495 -1.597 -2.577 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -6.726 -1.293 -2.011 0.00 0.00 +0.005 A ATOM 18 CL LIG 1 -2.877 -1.891 -2.687 0.00 0.00 -0.081 Cl ATOM 19 S LIG 1 -2.990 -1.283 0.628 0.00 0.00 +0.066 S ATOM 20 O LIG 1 -3.416 -1.910 1.860 0.00 0.00 -0.153 OA ATOM 21 O LIG 1 -1.820 -1.823 -0.036 0.00 0.00 -0.153 OA ATOM 22 N LIG 1 -2.749 0.385 0.906 0.00 0.00 -0.169 NA ATOM 23 C LIG 1 -6.785 -0.922 -0.674 0.00 0.00 +0.048 A ATOM 24 C LIG 1 -3.949 1.190 1.309 0.00 0.00 +0.154 C BRANCH 11 26 ATOM 25 C LIG 1 -6.743 2.324 1.992 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -5.921 1.403 2.887 0.00 0.00 +0.042 C ENDBRANCH 11 26 ENDBRANCH 10 22 ENDBRANCH 1 10 BRANCH 8 27 ATOM 27 C LIG 1 2.441 -1.221 -1.064 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 3.969 -1.044 -1.140 0.00 0.00 -0.034 A ATOM 29 C LIG 1 4.563 -0.285 -2.193 0.00 0.00 -0.017 A ATOM 30 C LIG 1 3.739 0.356 -3.277 0.00 0.00 +0.046 C ATOM 31 C LIG 1 5.971 -0.156 -2.198 0.00 0.00 +0.116 A ATOM 32 N LIG 1 6.796 0.502 -3.077 0.00 0.00 -0.129 NA ATOM 33 N LIG 1 8.048 0.348 -2.669 0.00 0.00 -0.065 NA ATOM 34 N LIG 1 8.017 -0.404 -1.555 0.00 0.00 -0.247 N ATOM 35 C LIG 1 9.250 -0.738 -0.895 0.00 0.00 +0.175 C ATOM 36 C LIG 1 6.738 -0.740 -1.199 0.00 0.00 +0.089 A ATOM 37 C LIG 1 6.189 -1.462 -0.143 0.00 0.00 +0.030 A ATOM 38 C LIG 1 4.796 -1.594 -0.134 0.00 0.00 +0.007 A ENDBRANCH 27 28 BRANCH 27 39 ATOM 39 C LIG 1 1.968 -2.603 -0.546 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 1.204 -3.326 -1.621 0.00 0.00 +0.306 C ATOM 41 O LIG 1 1.750 -3.891 -2.560 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 -0.134 -3.298 -1.491 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 -0.520 -2.765 -0.752 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 27 39 ENDBRANCH 8 27 TORSDOF 8