REMARK Name = BDB000018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.763 -0.053 0.555 0.00 0.00 -0.310 N ATOM 2 H LIG 1 -1.348 0.161 -0.261 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.490 -0.301 1.726 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -2.834 -0.647 1.666 0.00 0.00 +0.071 A ATOM 5 C LIG 1 -3.727 -0.758 0.512 0.00 0.00 +0.256 C ATOM 6 N LIG 1 -4.942 -1.173 0.985 0.00 0.00 -0.222 N ATOM 7 C LIG 1 -4.942 -1.257 2.350 0.00 0.00 +0.255 C ATOM 8 O LIG 1 -5.860 -1.537 3.097 0.00 0.00 -0.270 OA ATOM 9 O LIG 1 -3.401 -0.483 -0.627 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 -3.585 -0.944 2.791 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -3.049 -0.912 4.061 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -1.704 -0.561 4.167 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -0.938 -0.262 3.016 0.00 0.00 +0.024 A BRANCH 6 14 ATOM 14 C LIG 1 -6.159 -1.267 0.192 0.00 0.00 +0.171 C ATOM 15 C LIG 1 -6.670 0.144 -0.118 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -6.383 1.138 0.546 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -7.548 0.240 -1.175 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -7.896 1.169 -1.375 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -7.884 -0.734 -2.082 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -8.626 -0.489 -3.029 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -7.346 -2.121 -1.816 0.00 0.00 +0.098 C ATOM 22 C LIG 1 -6.005 -2.066 -1.100 0.00 0.00 +0.041 C ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 26 ATOM 23 C LIG 1 3.299 -0.088 -0.390 0.00 0.00 +0.218 A ATOM 24 N LIG 1 2.900 -0.779 0.697 0.00 0.00 -0.219 NA ATOM 25 C LIG 1 1.571 -0.769 0.974 0.00 0.00 +0.141 A ATOM 26 C LIG 1 0.603 -0.100 0.234 0.00 0.00 +0.093 A ATOM 27 C LIG 1 1.084 0.614 -0.874 0.00 0.00 +0.156 A ATOM 28 C LIG 1 2.437 0.611 -1.210 0.00 0.00 +0.115 A BRANCH 23 29 ATOM 29 O LIG 1 4.633 -0.065 -0.742 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 5.476 -0.771 0.177 0.00 0.00 +0.246 C BRANCH 30 31 ATOM 31 C LIG 1 6.924 -0.651 -0.326 0.00 0.00 +0.125 C BRANCH 31 33 ATOM 32 C LIG 1 9.283 -0.870 0.104 0.00 0.00 +0.104 C ATOM 33 N LIG 1 7.941 -1.220 0.580 0.00 0.00 -0.305 NA ATOM 34 C LIG 1 7.820 -2.674 0.693 0.00 0.00 +0.104 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 BRANCH 27 35 ATOM 35 O LIG 1 0.163 1.267 -1.672 0.00 0.00 -0.454 OA BRANCH 35 36 ATOM 36 C LIG 1 0.365 2.612 -1.884 0.00 0.00 +0.129 A ATOM 37 C LIG 1 0.141 3.084 -3.178 0.00 0.00 +0.046 A ATOM 38 C LIG 1 0.299 4.441 -3.461 0.00 0.00 +0.004 A ATOM 39 C LIG 1 0.666 5.326 -2.448 0.00 0.00 +0.000 A ATOM 40 C LIG 1 0.867 4.858 -1.149 0.00 0.00 +0.004 A ATOM 41 C LIG 1 0.710 3.501 -0.862 0.00 0.00 +0.046 A ENDBRANCH 35 36 ENDBRANCH 27 35 ENDBRANCH 1 26 TORSDOF 9