REMARK Name = BDB041387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.878 -2.642 0.459 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -1.373 -3.042 -0.806 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -0.003 -3.032 -1.094 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.264 -3.490 -2.429 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.876 -3.821 -3.120 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.896 -2.590 -0.094 0.00 0.00 +0.013 A ATOM 7 C LIG 1 0.435 -2.162 1.159 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -2.275 -3.590 -2.182 0.00 0.00 -0.096 S ATOM 9 C LIG 1 -0.937 -2.217 1.420 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -3.358 -2.609 0.795 0.00 0.00 +0.121 C BRANCH 10 19 ATOM 11 C LIG 1 -5.982 -0.387 -0.863 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -6.310 0.689 0.036 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -5.242 1.514 0.240 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -4.067 1.098 0.860 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -3.036 1.954 1.104 0.00 0.00 -0.213 NA ATOM 16 C LIG 1 -3.179 3.227 0.705 0.00 0.00 +0.213 A ATOM 17 C LIG 1 -4.315 3.725 0.093 0.00 0.00 +0.070 A ATOM 18 C LIG 1 -3.909 -0.315 1.374 0.00 0.00 +0.144 C ATOM 19 N LIG 1 -3.985 -1.360 0.332 0.00 0.00 -0.289 NA ATOM 20 C LIG 1 -5.373 2.849 -0.131 0.00 0.00 +0.053 A ATOM 21 C LIG 1 -5.378 -1.588 -0.098 0.00 0.00 +0.129 C BRANCH 11 23 ATOM 22 C LIG 1 -7.912 0.299 -2.374 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -7.299 -0.816 -1.537 0.00 0.00 +0.042 C ENDBRANCH 11 23 BRANCH 16 24 ATOM 24 O LIG 1 -2.110 4.027 0.973 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 -2.235 4.867 0.507 0.00 0.00 +0.294 HD ENDBRANCH 16 24 ENDBRANCH 10 19 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 1.388 -1.643 2.236 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 2.331 -0.539 1.708 0.00 0.00 -0.034 A ATOM 28 C LIG 1 1.853 0.795 1.512 0.00 0.00 -0.017 A ATOM 29 C LIG 1 0.424 1.189 1.786 0.00 0.00 +0.046 C ATOM 30 C LIG 1 2.769 1.756 1.021 0.00 0.00 +0.116 A ATOM 31 N LIG 1 2.593 3.090 0.742 0.00 0.00 -0.129 NA ATOM 32 N LIG 1 3.742 3.582 0.300 0.00 0.00 -0.065 NA ATOM 33 N LIG 1 4.633 2.576 0.297 0.00 0.00 -0.243 N ATOM 34 C LIG 1 4.081 1.402 0.739 0.00 0.00 +0.089 A ATOM 35 C LIG 1 4.574 0.111 0.905 0.00 0.00 +0.030 A ATOM 36 C LIG 1 3.674 -0.844 1.390 0.00 0.00 +0.007 A BRANCH 33 37 ATOM 37 C LIG 1 5.986 2.811 -0.164 0.00 0.00 +0.161 C BRANCH 37 38 ATOM 38 C LIG 1 6.085 2.667 -1.687 0.00 0.00 +0.107 C BRANCH 38 39 ATOM 39 N LIG 1 7.450 2.892 -2.208 0.00 0.00 -0.307 NA ATOM 40 C LIG 1 7.402 3.094 -3.660 0.00 0.00 +0.104 C ATOM 41 C LIG 1 8.346 1.776 -1.899 0.00 0.00 +0.104 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 33 37 ENDBRANCH 26 27 BRANCH 26 42 ATOM 42 C LIG 1 2.106 -2.820 2.928 0.00 0.00 +0.133 C BRANCH 42 43 ATOM 43 C LIG 1 1.172 -3.721 3.685 0.00 0.00 +0.306 C ATOM 44 O LIG 1 1.127 -4.939 3.599 0.00 0.00 -0.251 OA BRANCH 43 45 ATOM 45 O LIG 1 0.394 -3.077 4.574 0.00 0.00 -0.481 OA ATOM 46 H LIG 1 -0.109 -3.797 5.009 0.00 0.00 +0.295 HD ENDBRANCH 43 45 ENDBRANCH 42 43 ENDBRANCH 26 42 ENDBRANCH 7 26 TORSDOF 12