REMARK Name = BDB006353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.732 -1.655 -0.024 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.740 -1.091 -1.310 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.578 -1.168 -2.105 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -0.260 -0.717 -3.415 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.038 -1.085 -3.681 0.00 0.00 +0.087 A ATOM 6 N LIG 1 1.530 -1.736 -2.576 0.00 0.00 -0.342 N ATOM 7 C LIG 1 0.553 -1.815 -1.600 0.00 0.00 +0.049 A ATOM 8 C LIG 1 0.567 -2.398 -0.323 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -0.594 -2.311 0.451 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 -3.743 -0.493 0.702 0.00 0.00 -0.305 N ATOM 11 H LIG 1 -3.413 0.287 0.150 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 -2.930 -1.594 0.857 0.00 0.00 +0.245 C ATOM 13 O LIG 1 -3.135 -2.475 1.685 0.00 0.00 -0.270 OA BRANCH 10 15 ATOM 14 C LIG 1 -4.465 0.271 2.930 0.00 0.00 +0.033 C ATOM 15 C LIG 1 -4.892 -0.270 1.562 0.00 0.00 +0.100 C BRANCH 15 16 ATOM 16 C LIG 1 -5.885 0.630 0.841 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -5.715 2.023 0.768 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -6.631 2.821 0.076 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -7.725 2.225 -0.560 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -7.905 0.838 -0.512 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -6.984 0.049 0.182 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 -8.688 3.059 -1.290 0.00 0.00 +0.056 N ATOM 23 O LIG 1 -8.480 4.281 -1.325 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 -9.650 2.494 -1.829 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 2.870 -2.313 -2.493 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.792 -1.514 -1.604 0.00 0.00 -0.028 A ATOM 27 C LIG 1 4.448 -2.132 -0.532 0.00 0.00 +0.006 A ATOM 28 C LIG 1 5.317 -1.404 0.288 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.565 -0.043 0.057 0.00 0.00 -0.018 A ATOM 30 C LIG 1 4.915 0.566 -1.027 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.044 -0.158 -1.849 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.477 0.721 0.922 0.00 0.00 -0.017 A ATOM 33 C LIG 1 6.300 0.745 2.316 0.00 0.00 +0.028 A ATOM 34 C LIG 1 7.169 1.472 3.131 0.00 0.00 +0.042 A ATOM 35 CL LIG 1 6.929 1.486 4.836 0.00 0.00 -0.084 Cl ATOM 36 C LIG 1 8.229 2.187 2.579 0.00 0.00 +0.020 A ATOM 37 C LIG 1 8.420 2.175 1.199 0.00 0.00 +0.002 A ATOM 38 C LIG 1 7.551 1.449 0.380 0.00 0.00 +0.008 A ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 7