REMARK Name = BDB004497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 3.454 1.468 -0.379 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 2.247 1.547 -0.513 0.00 0.00 +0.250 C ATOM 3 N LIG 1 1.257 0.887 0.210 0.00 0.00 -0.257 N ATOM 4 C LIG 1 -0.084 1.398 -0.125 0.00 0.00 +0.192 C ATOM 5 C LIG 1 0.225 2.406 -1.216 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -0.632 3.202 -1.966 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.080 4.050 -2.933 0.00 0.00 +0.000 A ATOM 8 C LIG 1 1.310 4.096 -3.142 0.00 0.00 +0.001 A ATOM 9 C LIG 1 2.167 3.291 -2.391 0.00 0.00 +0.013 A ATOM 10 C LIG 1 1.593 2.457 -1.448 0.00 0.00 +0.045 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -0.814 2.073 1.046 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -2.131 1.717 1.396 0.00 0.00 +0.011 A ATOM 13 C LIG 1 -2.785 2.340 2.463 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.132 3.328 3.187 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -2.761 3.923 4.208 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.838 3.710 2.863 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -0.183 3.090 1.798 0.00 0.00 +0.011 A ENDBRANCH 4 11 BRANCH 3 18 ATOM 18 C LIG 1 1.594 0.236 1.473 0.00 0.00 +0.146 C BRANCH 18 19 ATOM 19 C LIG 1 1.921 -1.240 1.361 0.00 0.00 -0.030 A ATOM 20 C LIG 1 1.265 -2.166 2.193 0.00 0.00 +0.007 A ATOM 21 C LIG 1 1.557 -3.530 2.118 0.00 0.00 +0.033 A ATOM 22 C LIG 1 2.525 -3.980 1.212 0.00 0.00 +0.126 A ATOM 23 C LIG 1 3.201 -3.074 0.390 0.00 0.00 +0.033 A ATOM 24 C LIG 1 2.901 -1.711 0.473 0.00 0.00 +0.007 A BRANCH 22 25 ATOM 25 N LIG 1 2.838 -5.412 1.133 0.00 0.00 +0.056 N ATOM 26 O LIG 1 3.716 -5.769 0.334 0.00 0.00 -0.126 OA ATOM 27 O LIG 1 2.203 -6.181 1.870 0.00 0.00 -0.126 OA ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 3 18 BRANCH 4 28 ATOM 28 O LIG 1 -0.897 0.448 -0.820 0.00 0.00 -0.347 OA BRANCH 28 29 ATOM 29 C LIG 1 -0.798 -0.913 -0.441 0.00 0.00 +0.172 C BRANCH 29 30 ATOM 30 C LIG 1 -1.866 -1.754 -1.131 0.00 0.00 +0.017 C ATOM 31 C LIG 1 -2.164 -1.478 -2.595 0.00 0.00 +0.012 C ATOM 32 C LIG 1 -3.178 -1.107 -1.548 0.00 0.00 +0.012 C BRANCH 30 33 ATOM 33 C LIG 1 -1.851 -3.189 -0.639 0.00 0.00 +0.165 C BRANCH 33 34 ATOM 34 O LIG 1 -2.693 -4.038 -1.406 0.00 0.00 -0.394 OA ATOM 35 H LIG 1 -3.607 -3.749 -1.257 0.00 0.00 +0.209 HD ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 9