REMARK Name = BDB007920 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.003 -0.107 0.251 0.00 0.00 +0.059 A ATOM 2 C LIG 1 -0.915 -0.871 0.981 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -2.271 -0.533 0.984 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -2.736 0.570 0.252 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -1.811 1.335 -0.469 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.453 1.000 -0.473 0.00 0.00 +0.015 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.435 -0.509 0.283 0.00 0.00 +0.339 C ATOM 8 O LIG 1 1.857 -1.457 0.927 0.00 0.00 -0.245 OA BRANCH 7 9 ATOM 9 O LIG 1 2.185 0.323 -0.482 0.00 0.00 -0.461 OA BRANCH 9 10 ATOM 10 C LIG 1 3.587 0.007 -0.541 0.00 0.00 +0.239 C BRANCH 10 11 ATOM 11 C LIG 1 4.319 0.559 0.679 0.00 0.00 +0.100 C BRANCH 11 14 ATOM 12 C LIG 1 5.867 -2.138 1.957 0.00 0.00 +0.088 C ATOM 13 C LIG 1 6.347 -0.952 1.229 0.00 0.00 +0.126 A ATOM 14 C LIG 1 5.750 0.168 0.690 0.00 0.00 +0.086 A ATOM 15 N LIG 1 6.706 0.957 0.092 0.00 0.00 -0.214 NA ATOM 16 C LIG 1 7.837 0.304 0.289 0.00 0.00 +0.228 A ATOM 17 O LIG 1 7.687 -0.874 0.975 0.00 0.00 -0.440 OA BRANCH 16 18 ATOM 18 C LIG 1 9.193 0.661 -0.121 0.00 0.00 +0.037 A ATOM 19 C LIG 1 10.297 -0.156 0.167 0.00 0.00 +0.013 A ATOM 20 C LIG 1 11.583 0.212 -0.239 0.00 0.00 +0.001 A ATOM 21 C LIG 1 11.782 1.402 -0.937 0.00 0.00 +0.000 A ATOM 22 C LIG 1 10.697 2.224 -1.231 0.00 0.00 +0.001 A ATOM 23 C LIG 1 9.411 1.855 -0.825 0.00 0.00 +0.013 A ENDBRANCH 16 18 ENDBRANCH 11 14 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 4 24 ATOM 24 C LIG 1 -4.207 0.930 0.260 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 -5.090 0.368 -0.875 0.00 0.00 +0.159 C BRANCH 25 26 ATOM 26 C LIG 1 -4.861 1.089 -2.199 0.00 0.00 +0.318 C ATOM 27 O LIG 1 -4.239 2.128 -2.370 0.00 0.00 -0.250 OA BRANCH 26 28 ATOM 28 O LIG 1 -5.520 0.546 -3.247 0.00 0.00 -0.480 OA ATOM 29 H LIG 1 -5.282 1.121 -4.003 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 BRANCH 25 30 ATOM 30 S LIG 1 -4.948 -1.463 -1.092 0.00 0.00 -0.145 S BRANCH 30 31 ATOM 31 C LIG 1 -5.972 -2.043 0.305 0.00 0.00 +0.074 C BRANCH 31 32 ATOM 32 C LIG 1 -7.416 -2.367 -0.094 0.00 0.00 +0.046 C BRANCH 32 33 ATOM 33 C LIG 1 -8.283 -1.156 -0.340 0.00 0.00 -0.046 A ATOM 34 C LIG 1 -8.801 -0.422 0.738 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -9.587 0.708 0.508 0.00 0.00 +0.038 A ATOM 36 C LIG 1 -9.855 1.103 -0.797 0.00 0.00 +0.123 A ATOM 37 F LIG 1 -10.606 2.191 -1.016 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -9.352 0.390 -1.878 0.00 0.00 +0.038 A ATOM 39 C LIG 1 -8.568 -0.742 -1.651 0.00 0.00 +0.006 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 14