REMARK Name = BDB042006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.302 1.409 -3.225 0.00 0.00 +0.026 C ATOM 2 C LIG 1 -3.341 1.314 -2.033 0.00 0.00 +0.072 C ATOM 3 N LIG 1 -3.518 -0.018 -1.362 0.00 0.00 -0.283 NA ATOM 4 C LIG 1 -2.352 -0.906 -1.637 0.00 0.00 +0.072 C ATOM 5 C LIG 1 -2.400 -1.460 -3.070 0.00 0.00 +0.026 C ATOM 6 C LIG 1 -0.977 -0.277 -1.305 0.00 0.00 +0.126 C ATOM 7 N LIG 1 -0.864 1.149 -1.628 0.00 0.00 -0.295 N ATOM 8 C LIG 1 0.353 1.831 -1.586 0.00 0.00 +0.247 C ATOM 9 O LIG 1 0.582 2.858 -2.219 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.907 1.694 -2.488 0.00 0.00 +0.126 C ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 1.444 1.292 -0.741 0.00 0.00 +0.037 A ATOM 12 C LIG 1 2.692 1.054 -1.336 0.00 0.00 +0.019 A ATOM 13 C LIG 1 3.711 0.573 -0.532 0.00 0.00 -0.017 A ATOM 14 C LIG 1 5.127 0.253 -0.874 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.644 -0.289 0.376 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.737 -0.145 1.416 0.00 0.00 +0.248 C ATOM 17 O LIG 1 4.901 -0.365 2.600 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.490 0.354 0.827 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.279 0.611 1.444 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.242 1.096 0.643 0.00 0.00 +0.014 A BRANCH 15 21 ATOM 21 C LIG 1 7.069 -0.542 0.559 0.00 0.00 +0.163 C ATOM 22 C LIG 1 7.797 0.714 1.065 0.00 0.00 +0.240 C ATOM 23 O LIG 1 7.444 1.860 0.789 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.961 0.495 1.764 0.00 0.00 -0.255 N ATOM 25 H LIG 1 9.456 1.323 2.068 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 9.581 -0.703 2.018 0.00 0.00 +0.219 C ATOM 27 O LIG 1 10.688 -0.743 2.546 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.875 -1.948 1.533 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.371 -1.737 1.462 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 8 11 BRANCH 3 30 ATOM 30 C LIG 1 -3.738 0.174 0.117 0.00 0.00 +0.118 C BRANCH 30 31 ATOM 31 C LIG 1 -3.777 -1.129 0.929 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -2.999 -1.252 2.094 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.028 -2.424 2.851 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.839 -3.488 2.461 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.623 -3.381 1.314 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.596 -2.210 0.556 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -4.996 0.996 0.449 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -6.229 0.751 -0.179 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -7.360 1.500 0.150 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -7.278 2.499 1.117 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -6.066 2.750 1.757 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -4.934 2.002 1.429 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 3 30 TORSDOF 5