REMARK Name = BDB017409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.219 -0.416 -0.304 0.00 0.00 +0.161 C ATOM 2 C LIG 1 0.760 -0.922 -0.180 0.00 0.00 +0.239 C ATOM 3 O LIG 1 -0.093 -0.600 -1.014 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.454 -1.734 0.881 0.00 0.00 -0.262 N ATOM 5 C LIG 1 1.494 -2.459 1.554 0.00 0.00 +0.209 C ATOM 6 C LIG 1 0.825 -3.731 2.063 0.00 0.00 +0.061 C ATOM 7 C LIG 1 -0.641 -3.293 2.331 0.00 0.00 +0.009 C ATOM 8 C LIG 1 -1.603 -4.499 2.305 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -1.642 -4.922 3.736 0.00 0.00 -0.030 C ATOM 10 C LIG 1 -1.177 -3.965 4.545 0.00 0.00 -0.030 C ATOM 11 C LIG 1 -0.745 -2.749 3.782 0.00 0.00 +0.036 C ATOM 12 O LIG 1 2.011 -1.673 2.609 0.00 0.00 -0.359 OA ATOM 13 C LIG 1 2.206 -0.292 2.312 0.00 0.00 +0.164 C ATOM 14 C LIG 1 -0.884 -2.296 1.166 0.00 0.00 +0.171 C ATOM 15 C LIG 1 2.934 -0.012 1.000 0.00 0.00 +0.060 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 3.271 1.119 -1.956 0.00 0.00 +0.230 C ATOM 17 N LIG 1 2.169 0.706 -1.247 0.00 0.00 -0.303 N ATOM 18 H LIG 1 1.244 0.991 -1.550 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 4.392 0.666 -1.725 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 3.017 2.254 -2.987 0.00 0.00 +0.137 C ATOM 21 C LIG 1 1.775 2.033 -3.850 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 4.481 1.489 -4.822 0.00 0.00 +0.101 C ATOM 23 N LIG 1 4.241 2.495 -3.792 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 5.029 2.466 -3.139 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 14 25 ATOM 25 C LIG 1 -2.035 -1.285 1.461 0.00 0.00 +0.235 C ATOM 26 N LIG 1 -1.967 -0.107 0.766 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -1.383 -0.103 -0.068 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 -3.010 -1.565 2.155 0.00 0.00 -0.274 OA BRANCH 26 29 ATOM 29 C LIG 1 -2.946 0.963 0.852 0.00 0.00 +0.103 C ATOM 30 C LIG 1 -2.296 2.219 0.294 0.00 0.00 -0.024 A ATOM 31 C LIG 1 -2.601 2.696 -0.995 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -1.928 3.825 -1.490 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -0.945 4.459 -0.730 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -0.632 3.981 0.539 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.675 2.061 -1.843 0.00 0.00 +0.035 C ATOM 36 C LIG 1 -4.052 0.652 -1.395 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -1.303 2.870 1.049 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -4.246 0.609 0.117 0.00 0.00 +0.027 C ENDBRANCH 26 29 ENDBRANCH 14 25 TORSDOF 5