REMARK Name = BDB015950 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.829 -1.861 -1.137 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.647 -1.289 -0.818 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.402 -2.089 -0.542 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.284 -3.479 -0.569 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.971 -3.962 -0.895 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.036 -3.186 -1.179 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.912 1.306 -1.595 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.839 0.435 -1.344 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.966 -0.966 -1.436 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.223 -1.469 -1.817 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.297 -0.617 -2.088 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.142 0.764 -1.976 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 2.349 5.752 -0.048 0.00 0.00 +0.172 C ATOM 14 N LIG 1 3.043 4.700 -0.748 0.00 0.00 -0.274 N ATOM 15 N LIG 1 3.958 5.014 -1.683 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 4.388 3.822 -2.110 0.00 0.00 +0.142 A ATOM 17 C LIG 1 3.748 2.743 -1.457 0.00 0.00 +0.020 A ATOM 18 C LIG 1 2.885 3.357 -0.572 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.383 -4.386 -0.305 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -1.297 -5.535 0.455 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -2.549 -6.082 0.462 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -2.966 -7.294 1.125 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -3.448 -5.367 -0.236 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -2.735 -4.344 -0.714 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.625 -1.482 -0.253 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.079 -1.907 0.549 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.782 -0.023 -0.350 0.00 0.00 +0.138 C BRANCH 27 28 ATOM 28 C LIG 1 -1.307 0.791 0.909 0.00 0.00 +0.089 C ATOM 29 C LIG 1 -1.754 2.303 0.830 0.00 0.00 +0.008 C ATOM 30 C LIG 1 -1.031 3.168 1.899 0.00 0.00 +0.015 C ATOM 31 C LIG 1 -1.407 2.934 -0.537 0.00 0.00 +0.015 C ATOM 32 C LIG 1 -3.285 2.401 1.049 0.00 0.00 +0.090 C ATOM 33 N LIG 1 -3.723 1.765 2.291 0.00 0.00 -0.315 NA ATOM 34 H LIG 1 -4.735 1.855 2.386 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 -3.343 0.358 2.368 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -1.836 0.179 2.223 0.00 0.00 +0.052 C BRANCH 28 37 ATOM 37 O LIG 1 0.130 0.762 0.977 0.00 0.00 -0.386 OA ATOM 38 H LIG 1 0.423 -0.053 0.520 0.00 0.00 +0.210 HD ENDBRANCH 28 37 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7