REMARK Name = BDB043707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.468 2.385 1.197 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -1.792 2.042 1.551 0.00 0.00 +0.058 A ATOM 3 C LIG 1 -2.715 3.032 1.917 0.00 0.00 +0.015 A ATOM 4 C LIG 1 -2.353 4.375 1.865 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -1.068 4.727 1.460 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.132 3.740 1.133 0.00 0.00 +0.024 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 1.768 1.458 0.499 0.00 0.00 +0.248 C ATOM 8 N LIG 1 0.465 1.347 0.942 0.00 0.00 -0.281 N ATOM 9 H LIG 1 0.143 0.424 1.230 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.349 2.497 0.208 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 4.027 -2.199 0.161 0.00 0.00 -0.048 A ATOM 12 C LIG 1 2.633 -2.228 0.018 0.00 0.00 +0.004 A ATOM 13 C LIG 1 1.881 -1.053 0.124 0.00 0.00 +0.013 A ATOM 14 C LIG 1 2.517 0.169 0.380 0.00 0.00 +0.037 A ATOM 15 C LIG 1 3.912 0.202 0.500 0.00 0.00 +0.013 A ATOM 16 C LIG 1 4.661 -0.972 0.393 0.00 0.00 +0.004 A BRANCH 11 18 ATOM 17 C LIG 1 5.256 -3.720 -1.409 0.00 0.00 +0.009 C ATOM 18 C LIG 1 4.835 -3.464 0.030 0.00 0.00 +0.032 C ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 2 19 ATOM 19 C LIG 1 -2.213 0.619 1.556 0.00 0.00 +0.246 C ATOM 20 N LIG 1 -3.381 0.234 0.940 0.00 0.00 -0.311 N ATOM 21 H LIG 1 -3.518 -0.773 0.987 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -1.478 -0.230 2.056 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 -4.075 0.911 -0.142 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 C LIG 1 -3.279 0.942 -1.451 0.00 0.00 +0.030 C BRANCH 24 25 ATOM 25 C LIG 1 -2.764 -0.417 -1.913 0.00 0.00 +0.122 C BRANCH 25 26 ATOM 26 C LIG 1 -3.873 -1.413 -2.070 0.00 0.00 +0.305 C ATOM 27 O LIG 1 -4.295 -2.155 -1.198 0.00 0.00 -0.251 OA BRANCH 26 28 ATOM 28 O LIG 1 -4.430 -1.390 -3.293 0.00 0.00 -0.481 OA ATOM 29 H LIG 1 -5.130 -2.076 -3.259 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 2 19 TORSDOF 9