REMARK Name = BDB016679 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.405 0.960 -1.693 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.279 1.583 -0.437 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.225 1.202 0.401 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.273 0.256 0.046 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.612 0.177 1.170 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.207 0.995 2.158 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.386 -0.362 -1.212 0.00 0.00 +0.012 A ATOM 8 N LIG 1 0.880 1.602 1.661 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.355 2.282 2.241 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.443 0.004 -2.061 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.793 -0.916 0.929 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.062 -0.565 -0.216 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.503 0.479 -1.016 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.986 1.102 -2.282 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.530 1.341 -2.628 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.012 2.162 -2.612 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.966 2.132 -1.610 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.767 2.743 -1.603 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.981 2.897 -3.585 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.332 0.281 -3.355 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.686 1.144 -0.664 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.432 0.827 0.451 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.971 -0.219 1.257 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.937 -2.347 2.826 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.257 -1.954 1.641 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.808 -0.651 1.329 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -2.719 -0.815 0.275 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -3.871 -1.606 0.424 0.00 0.00 -0.033 A ATOM 29 C LIG 1 -4.093 -2.245 1.651 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -3.201 -2.080 2.711 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -2.067 -1.282 2.551 0.00 0.00 +0.010 A BRANCH 28 32 ATOM 32 C LIG 1 -4.846 -1.764 -0.726 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -5.947 -0.800 -0.789 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -5.535 0.580 -1.047 0.00 0.00 +0.085 C ATOM 35 C LIG 1 -6.729 1.531 -0.994 0.00 0.00 +0.015 C ATOM 36 C LIG 1 -7.386 1.530 0.387 0.00 0.00 +0.002 C ATOM 37 C LIG 1 -7.110 0.244 1.165 0.00 0.00 +0.015 C ATOM 38 C LIG 1 -6.981 -0.960 0.234 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 5 26 TORSDOF 5