REMARK Name = BDB046184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.435 0.554 -1.814 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -3.734 0.420 -1.304 0.00 0.00 +0.174 A ATOM 3 C LIG 1 -4.172 0.911 -0.086 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -5.547 0.529 -0.026 0.00 0.00 +0.121 A ATOM 5 N LIG 1 -5.891 -0.167 -1.123 0.00 0.00 -0.077 NA ATOM 6 C LIG 1 -3.254 1.597 0.730 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -1.941 1.756 0.271 0.00 0.00 +0.047 A ATOM 8 O LIG 1 -4.766 -0.218 -1.918 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 -1.537 1.226 -0.962 0.00 0.00 +0.127 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -6.521 0.792 1.031 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -6.588 2.046 1.654 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -7.520 2.284 2.668 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -8.396 1.275 3.063 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -8.346 0.028 2.444 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -7.416 -0.212 1.430 0.00 0.00 +0.010 A ENDBRANCH 4 10 BRANCH 1 16 ATOM 16 C LIG 1 -2.024 0.003 -3.153 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -2.158 -2.485 -2.593 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -1.282 -1.335 -3.071 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 9 19 ATOM 19 O LIG 1 -0.258 1.424 -1.420 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 0.759 0.931 -0.538 0.00 0.00 +0.229 C BRANCH 20 21 ATOM 21 C LIG 1 1.702 2.081 -0.192 0.00 0.00 +0.044 C BRANCH 21 22 ATOM 22 C LIG 1 2.812 1.688 0.778 0.00 0.00 +0.044 C BRANCH 22 23 ATOM 23 C LIG 1 3.809 0.687 0.197 0.00 0.00 +0.229 C BRANCH 23 24 ATOM 24 O LIG 1 4.822 0.467 1.179 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 5.827 -0.402 0.856 0.00 0.00 +0.121 A ATOM 26 C LIG 1 6.784 -0.584 1.859 0.00 0.00 +0.046 A ATOM 27 C LIG 1 7.868 -1.445 1.666 0.00 0.00 +0.018 A ATOM 28 C LIG 1 8.002 -2.135 0.458 0.00 0.00 +0.059 A ATOM 29 C LIG 1 7.046 -1.955 -0.548 0.00 0.00 +0.018 A ATOM 30 C LIG 1 5.962 -1.091 -0.350 0.00 0.00 +0.046 A BRANCH 28 31 ATOM 31 C LIG 1 9.131 -3.061 0.199 0.00 0.00 +0.337 C ATOM 32 O LIG 1 9.313 -3.693 -0.825 0.00 0.00 -0.245 OA BRANCH 31 33 ATOM 33 O LIG 1 9.982 -3.151 1.236 0.00 0.00 -0.477 OA ATOM 34 H LIG 1 10.664 -3.784 0.926 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 TORSDOF 12