REMARK Name = BDB011958 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.142 1.276 -0.994 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.222 1.195 0.226 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.355 2.001 1.153 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.750 0.187 0.209 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.672 -0.914 -0.711 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.552 -1.559 -1.014 0.00 0.00 +0.059 A ATOM 7 C LIG 1 0.574 -2.628 -1.927 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.604 -3.082 -2.525 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -1.810 -2.451 -2.230 0.00 0.00 +0.021 A ATOM 10 N LIG 1 1.775 -1.123 -0.425 0.00 0.00 -0.267 N ATOM 11 C LIG 1 2.768 -2.001 0.030 0.00 0.00 +0.223 C ATOM 12 O LIG 1 3.962 -1.699 -0.017 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -1.838 -1.372 -1.340 0.00 0.00 +0.026 A ATOM 14 C LIG 1 2.231 0.216 -0.825 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 2.310 -3.310 0.704 0.00 0.00 +0.080 C ATOM 16 C LIG 1 3.502 -4.226 1.030 0.00 0.00 +0.041 C ATOM 17 C LIG 1 4.270 -3.767 2.265 0.00 0.00 +0.160 C ATOM 18 O LIG 1 3.386 -3.604 3.373 0.00 0.00 -0.380 OA ATOM 19 C LIG 1 2.406 -2.600 3.127 0.00 0.00 +0.160 C ATOM 20 C LIG 1 1.502 -3.022 1.976 0.00 0.00 +0.041 C ENDBRANCH 11 15 BRANCH 1 22 ATOM 21 C LIG 1 2.303 3.104 -2.196 0.00 0.00 +0.230 C ATOM 22 N LIG 1 1.695 2.628 -1.062 0.00 0.00 -0.301 N ATOM 23 H LIG 1 1.661 3.180 -0.209 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 2.443 2.396 -3.194 0.00 0.00 -0.274 OA BRANCH 21 25 ATOM 25 C LIG 1 2.871 4.545 -2.102 0.00 0.00 +0.137 C ATOM 26 C LIG 1 1.828 5.535 -1.590 0.00 0.00 +0.034 C BRANCH 25 28 ATOM 27 C LIG 1 4.500 5.800 -3.405 0.00 0.00 +0.101 C ATOM 28 N LIG 1 3.306 4.969 -3.451 0.00 0.00 -0.309 NA ATOM 29 H LIG 1 3.506 4.122 -3.996 0.00 0.00 +0.122 HD ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 22 BRANCH 8 30 ATOM 30 C LIG 1 -0.569 -4.180 -3.446 0.00 0.00 +0.099 C ATOM 31 N LIG 1 -0.536 -5.075 -4.184 0.00 0.00 -0.191 NA ENDBRANCH 8 30 BRANCH 4 32 ATOM 32 C LIG 1 -1.575 0.038 1.424 0.00 0.00 +0.150 C BRANCH 32 33 ATOM 33 C LIG 1 -3.078 -0.054 1.229 0.00 0.00 -0.016 A ATOM 34 C LIG 1 -3.782 -1.287 1.450 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.173 -1.292 1.202 0.00 0.00 +0.071 A ATOM 36 C LIG 1 -5.903 -2.458 1.389 0.00 0.00 +0.028 A ATOM 37 C LIG 1 -5.307 -3.643 1.817 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -3.945 -3.668 2.061 0.00 0.00 +0.001 A ATOM 39 N LIG 1 -5.839 -0.217 0.772 0.00 0.00 -0.255 NA ATOM 40 C LIG 1 -5.149 0.928 0.589 0.00 0.00 +0.115 A ATOM 41 C LIG 1 -3.191 -2.507 1.879 0.00 0.00 +0.010 A ATOM 42 C LIG 1 -3.785 1.101 0.808 0.00 0.00 -0.021 A BRANCH 42 43 ATOM 43 C LIG 1 -3.131 2.445 0.555 0.00 0.00 +0.021 C ATOM 44 C LIG 1 -2.636 3.273 1.720 0.00 0.00 +0.009 C ATOM 45 C LIG 1 -3.826 3.734 0.941 0.00 0.00 +0.009 C ENDBRANCH 42 43 ENDBRANCH 32 33 ENDBRANCH 4 32 TORSDOF 8