REMARK Name = BDB010272 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.660 2.208 0.364 0.00 0.00 +0.052 A ATOM 2 C LIG 1 0.664 1.619 1.046 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.024 0.398 1.826 0.00 0.00 +0.265 A ATOM 4 O LIG 1 0.273 0.076 2.746 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 2.208 -0.221 1.470 0.00 0.00 -0.232 N ATOM 6 C LIG 1 3.189 0.554 0.865 0.00 0.00 +0.123 A ATOM 7 N LIG 1 2.940 1.725 0.363 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 2.389 -1.587 1.839 0.00 0.00 +0.239 A ATOM 9 N LIG 1 3.570 -2.191 1.636 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 3.685 -3.504 1.950 0.00 0.00 +0.161 A ATOM 11 C LIG 1 2.669 -4.272 2.459 0.00 0.00 +0.156 A ATOM 12 C LIG 1 1.493 -3.587 2.620 0.00 0.00 +0.161 A ATOM 13 N LIG 1 1.335 -2.280 2.310 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 2.930 -5.577 2.722 0.00 0.00 -0.492 OA ATOM 15 C LIG 1 1.891 -6.311 3.366 0.00 0.00 +0.277 C ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 16 ATOM 16 C LIG 1 4.696 0.087 0.758 0.00 0.00 +0.056 C ATOM 17 C LIG 1 5.507 0.010 2.088 0.00 0.00 +0.011 C ATOM 18 C LIG 1 6.047 1.417 1.781 0.00 0.00 +0.001 C ATOM 19 C LIG 1 5.769 1.127 0.299 0.00 0.00 +0.011 C ENDBRANCH 6 16 BRANCH 1 20 ATOM 20 C LIG 1 1.503 3.473 -0.459 0.00 0.00 +0.056 C BRANCH 20 21 ATOM 21 C LIG 1 1.646 3.197 -1.961 0.00 0.00 +0.006 C BRANCH 21 23 ATOM 22 C LIG 1 1.603 4.211 -4.268 0.00 0.00 +0.004 C ATOM 23 C LIG 1 1.422 4.468 -2.780 0.00 0.00 -0.003 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 2 24 ATOM 24 C LIG 1 -0.769 2.069 1.164 0.00 0.00 +0.079 C BRANCH 24 25 ATOM 25 C LIG 1 -1.722 1.241 0.336 0.00 0.00 -0.025 A ATOM 26 C LIG 1 -2.383 0.147 0.884 0.00 0.00 +0.115 A ATOM 27 N LIG 1 -3.267 -0.628 0.206 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 -3.478 -0.333 -1.103 0.00 0.00 +0.072 A ATOM 29 C LIG 1 -2.846 0.732 -1.738 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -1.966 1.528 -1.008 0.00 0.00 +0.007 A BRANCH 28 31 ATOM 31 C LIG 1 -4.415 -1.212 -1.811 0.00 0.00 +0.011 A ATOM 32 C LIG 1 -5.811 -1.206 -1.597 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -6.647 -2.028 -2.373 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -6.111 -2.881 -3.337 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.737 -2.916 -3.542 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -3.901 -2.087 -2.791 0.00 0.00 +0.011 A BRANCH 32 37 ATOM 37 C LIG 1 -6.486 -0.352 -0.602 0.00 0.00 +0.183 A ATOM 38 N LIG 1 -5.913 -0.059 0.568 0.00 0.00 -0.271 N ATOM 39 H LIG 1 -4.999 -0.340 0.898 0.00 0.00 +0.174 HD ATOM 40 C LIG 1 -6.764 0.729 1.239 0.00 0.00 +0.440 A ATOM 41 O LIG 1 -6.569 1.227 2.337 0.00 0.00 -0.221 OA ATOM 42 O LIG 1 -7.896 0.884 0.479 0.00 0.00 -0.295 OA ATOM 43 N LIG 1 -7.670 0.150 -0.732 0.00 0.00 -0.054 NA ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 10