REMARK Name = BDB027056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.561 0.373 -2.676 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.105 0.136 -4.110 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.661 -0.921 -4.850 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.261 -1.158 -6.166 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.690 -0.337 -6.765 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.233 0.730 -6.054 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.834 0.971 -4.737 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 1.628 1.411 -2.674 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 1.143 2.311 -2.739 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 2.422 1.412 -1.439 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 3.533 0.350 -1.462 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 5.911 0.496 2.144 0.00 0.00 +0.037 A ATOM 13 C LIG 1 4.877 -0.441 2.022 0.00 0.00 +0.013 A ATOM 14 C LIG 1 4.112 -0.492 0.853 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.370 0.390 -0.206 0.00 0.00 -0.046 A ATOM 16 C LIG 1 5.396 1.335 -0.071 0.00 0.00 +0.004 A ATOM 17 C LIG 1 6.159 1.391 1.098 0.00 0.00 +0.013 A BRANCH 12 21 ATOM 18 C LIG 1 7.832 -0.619 5.203 0.00 0.00 +0.128 C ATOM 19 N LIG 1 6.941 -0.585 4.071 0.00 0.00 -0.314 N ATOM 20 H LIG 1 6.726 -1.459 3.612 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 6.745 0.592 3.373 0.00 0.00 +0.244 C ATOM 22 O LIG 1 7.245 1.663 3.697 0.00 0.00 -0.270 OA ENDBRANCH 12 21 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 23 ATOM 23 C LIG 1 -0.617 0.792 -1.750 0.00 0.00 +0.186 C ATOM 24 O LIG 1 -0.782 1.980 -1.450 0.00 0.00 -0.290 OA BRANCH 23 25 ATOM 25 C LIG 1 -1.527 -0.246 -1.244 0.00 0.00 +0.044 A ATOM 26 C LIG 1 -2.613 -0.068 -0.321 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -3.207 -1.314 -0.117 0.00 0.00 +0.048 A ATOM 28 C LIG 1 -4.296 -1.508 0.746 0.00 0.00 +0.034 A ATOM 29 C LIG 1 -4.813 -0.394 1.426 0.00 0.00 -0.013 A ATOM 30 C LIG 1 -4.237 0.866 1.232 0.00 0.00 +0.009 A ATOM 31 N LIG 1 -2.529 -2.217 -0.896 0.00 0.00 -0.360 N ATOM 32 H LIG 1 -2.753 -3.202 -0.957 0.00 0.00 +0.165 HD ATOM 33 C LIG 1 -3.147 1.040 0.368 0.00 0.00 +0.011 A ATOM 34 C LIG 1 -1.510 -1.593 -1.567 0.00 0.00 +0.095 A BRANCH 29 35 ATOM 35 C LIG 1 -5.936 -0.564 2.331 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -6.962 0.343 2.501 0.00 0.00 +0.116 A ATOM 37 N LIG 1 -7.813 -0.208 3.414 0.00 0.00 -0.274 N ATOM 38 C LIG 1 -9.046 0.360 3.902 0.00 0.00 +0.172 C ATOM 39 N LIG 1 -7.418 -1.415 3.855 0.00 0.00 -0.179 NA ATOM 40 C LIG 1 -6.279 -1.631 3.191 0.00 0.00 +0.142 A ENDBRANCH 29 35 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9