REMARK Name = BDB011985 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.349 2.116 0.013 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.690 1.494 0.448 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -2.664 2.263 0.553 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.882 0.115 0.565 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.992 -0.770 1.294 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.411 -0.766 1.167 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.211 -1.676 1.884 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.640 -2.628 2.718 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.737 -2.663 2.854 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.080 0.160 0.352 0.00 0.00 -0.267 N ATOM 11 C LIG 1 1.738 -0.154 -0.834 0.00 0.00 +0.220 C ATOM 12 O LIG 1 2.247 0.720 -1.542 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -1.533 -1.745 2.157 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.865 1.552 0.713 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 0.333 4.505 -0.314 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -0.503 3.564 0.258 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -1.453 3.860 0.466 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 1.323 4.199 -0.968 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -0.135 5.962 -0.069 0.00 0.00 +0.137 C ATOM 20 C LIG 1 0.850 6.950 -0.688 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -1.142 7.310 1.696 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -0.272 6.183 1.389 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -0.649 5.341 1.824 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 -3.285 -0.311 0.349 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 -3.453 -1.622 -0.423 0.00 0.00 -0.019 A ATOM 26 C LIG 1 -4.280 -2.682 0.089 0.00 0.00 -0.013 A ATOM 27 C LIG 1 -4.336 -3.909 -0.623 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -5.106 -4.983 -0.146 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -5.850 -4.872 1.024 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -5.839 -3.679 1.727 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -3.628 -4.061 -1.817 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -2.890 -3.009 -2.348 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.072 -2.604 1.265 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -2.816 -1.780 -1.685 0.00 0.00 -0.045 A ATOM 35 C LIG 1 -2.032 -0.681 -2.355 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 36 ATOM 36 C LIG 1 1.804 -1.605 -1.297 0.00 0.00 +0.096 C BRANCH 36 37 ATOM 37 C LIG 1 3.169 -2.238 -1.030 0.00 0.00 +0.010 C BRANCH 37 38 ATOM 38 C LIG 1 4.239 -1.794 -2.036 0.00 0.00 +0.012 C BRANCH 38 39 ATOM 39 C LIG 1 5.583 -2.474 -1.789 0.00 0.00 +0.120 C BRANCH 39 40 ATOM 40 C LIG 1 6.244 -1.963 -0.533 0.00 0.00 +0.307 C ATOM 41 O LIG 1 6.131 -2.493 0.565 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 6.947 -0.827 -0.793 0.00 0.00 -0.468 OA ATOM 43 C LIG 1 7.566 -0.248 0.357 0.00 0.00 +0.280 C ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 11