REMARK Name = BDB018873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.308 1.822 0.543 0.00 0.00 +0.039 A ATOM 2 C LIG 1 1.277 0.809 0.449 0.00 0.00 +0.037 A ATOM 3 C LIG 1 0.907 -0.447 0.004 0.00 0.00 +0.041 A ATOM 4 N LIG 1 1.662 -1.622 -0.184 0.00 0.00 -0.269 N ATOM 5 C LIG 1 0.746 -2.706 -0.570 0.00 0.00 +0.118 C ATOM 6 C LIG 1 -0.624 -2.091 -0.832 0.00 0.00 +0.057 C ATOM 7 C LIG 1 3.002 -1.941 -0.024 0.00 0.00 +0.241 C ATOM 8 O LIG 1 3.370 -3.110 -0.206 0.00 0.00 -0.273 OA ATOM 9 C LIG 1 -0.435 -0.687 -0.336 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -1.420 0.304 -0.266 0.00 0.00 -0.012 A ATOM 11 C LIG 1 -1.025 1.574 0.176 0.00 0.00 +0.022 A ENDROOT BRANCH 10 12 ATOM 12 C LIG 1 -2.812 0.056 -0.651 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -3.667 -0.687 0.174 0.00 0.00 +0.018 A ATOM 14 C LIG 1 -5.005 -0.925 -0.193 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.512 -0.413 -1.405 0.00 0.00 +0.071 A ATOM 16 N LIG 1 -6.782 -0.614 -1.797 0.00 0.00 -0.255 NA ATOM 17 C LIG 1 -7.588 -1.336 -0.988 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -7.185 -1.879 0.218 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -4.657 0.323 -2.212 0.00 0.00 +0.029 A ATOM 20 C LIG 1 -5.872 -1.668 0.620 0.00 0.00 +0.011 A ATOM 21 C LIG 1 -3.325 0.561 -1.850 0.00 0.00 +0.010 A ENDBRANCH 10 12 BRANCH 1 25 ATOM 22 C LIG 1 0.175 5.212 2.221 0.00 0.00 +0.128 C ATOM 23 N LIG 1 -0.193 3.945 1.638 0.00 0.00 -0.314 N ATOM 24 H LIG 1 -1.047 3.513 1.963 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 0.753 3.166 1.006 0.00 0.00 +0.244 C ATOM 26 O LIG 1 1.919 3.508 0.843 0.00 0.00 -0.270 OA ENDBRANCH 1 25 BRANCH 7 27 ATOM 27 C LIG 1 4.031 -0.864 0.321 0.00 0.00 +0.170 C ATOM 28 N LIG 1 5.356 -1.429 0.758 0.00 0.00 -0.258 N ATOM 29 C LIG 1 6.439 -0.831 -0.051 0.00 0.00 +0.117 C ATOM 30 C LIG 1 5.808 0.405 -0.668 0.00 0.00 +0.022 C ATOM 31 C LIG 1 4.378 -0.034 -0.920 0.00 0.00 +0.034 C BRANCH 28 32 ATOM 32 C LIG 1 5.534 -2.219 1.823 0.00 0.00 +0.170 C ATOM 33 N LIG 1 5.694 -2.868 2.768 0.00 0.00 -0.174 NA ENDBRANCH 28 32 ENDBRANCH 7 27 TORSDOF 4