REMARK Name = BDB032765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.873 -0.632 -0.051 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.803 0.161 0.325 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.706 1.371 0.279 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.737 -0.744 0.768 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -4.170 -2.052 0.568 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -3.346 -3.115 0.889 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -2.080 -2.832 1.420 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -1.648 -1.501 1.630 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -2.493 -0.436 1.286 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -5.537 -2.049 -0.027 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -7.486 3.844 -1.798 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.372 2.674 -1.436 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -7.004 1.704 -2.330 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -6.773 2.037 -3.256 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.771 0.373 -2.098 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -6.285 -0.341 -2.976 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -7.090 -0.158 -0.701 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -7.959 0.785 0.128 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.600 2.254 -0.006 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 -0.269 -1.225 2.175 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 0.589 -0.958 1.063 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 1.880 -0.723 1.412 0.00 0.00 +0.405 C ATOM 23 N LIG 1 2.585 -0.473 0.271 0.00 0.00 -0.250 N ATOM 24 H LIG 1 2.019 -0.505 -0.567 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 2.291 -0.744 2.562 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 3.954 -0.184 0.141 0.00 0.00 +0.055 A ATOM 27 C LIG 1 4.474 0.049 -1.128 0.00 0.00 +0.134 A ATOM 28 N LIG 1 5.772 0.336 -1.392 0.00 0.00 -0.253 NA ATOM 29 C LIG 1 6.636 0.393 -0.345 0.00 0.00 +0.074 A ATOM 30 C LIG 1 6.193 0.182 0.961 0.00 0.00 +0.030 A ATOM 31 C LIG 1 4.846 -0.109 1.203 0.00 0.00 +0.027 A BRANCH 29 32 ATOM 32 C LIG 1 8.035 0.713 -0.691 0.00 0.00 +0.036 A ATOM 33 C LIG 1 9.131 0.233 0.043 0.00 0.00 +0.133 A ATOM 34 F LIG 1 8.947 -0.573 1.101 0.00 0.00 -0.205 F ATOM 35 C LIG 1 10.448 0.550 -0.298 0.00 0.00 +0.039 A ATOM 36 C LIG 1 10.706 1.362 -1.397 0.00 0.00 +0.003 A ATOM 37 C LIG 1 9.644 1.849 -2.154 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.328 1.526 -1.805 0.00 0.00 +0.013 A ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6