REMARK Name = BDB021318 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.398 -0.189 0.027 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.229 0.319 -1.149 0.00 0.00 +0.151 A ATOM 3 N LIG 1 1.590 0.111 -1.271 0.00 0.00 -0.270 N ATOM 4 C LIG 1 1.984 0.689 -2.457 0.00 0.00 +0.134 A ATOM 5 C LIG 1 0.833 1.210 -3.001 0.00 0.00 +0.159 A ATOM 6 C LIG 1 2.355 -0.567 -0.299 0.00 0.00 +0.202 A ATOM 7 N LIG 1 1.770 -1.004 0.782 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.248 0.980 -2.189 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.413 -0.798 0.919 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -4.614 0.237 0.894 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -3.850 1.325 0.456 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -2.486 1.180 0.175 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -1.841 -0.053 0.339 0.00 0.00 -0.013 A ATOM 14 C LIG 1 -2.601 -1.144 0.779 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -3.963 -0.998 1.061 0.00 0.00 +0.006 A BRANCH 10 18 ATOM 16 C LIG 1 -6.829 -0.700 -0.881 0.00 0.00 +0.105 C ATOM 17 N LIG 1 -6.977 -0.655 0.579 0.00 0.00 -0.298 NA ATOM 18 C LIG 1 -6.089 0.342 1.234 0.00 0.00 +0.087 C ATOM 19 C LIG 1 -6.799 1.678 0.994 0.00 0.00 +0.025 C ATOM 20 C LIG 1 -8.281 1.322 0.995 0.00 0.00 +0.017 C ATOM 21 C LIG 1 -8.331 -0.201 0.940 0.00 0.00 +0.085 C ENDBRANCH 10 18 ENDBRANCH 1 13 BRANCH 5 22 ATOM 22 C LIG 1 0.707 1.921 -4.237 0.00 0.00 +0.121 C ATOM 23 N LIG 1 0.646 2.495 -5.245 0.00 0.00 -0.189 NA ENDBRANCH 5 22 BRANCH 6 24 ATOM 24 N LIG 1 3.705 -0.738 -0.521 0.00 0.00 -0.310 N ATOM 25 H LIG 1 4.017 -0.729 -1.486 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 4.490 -1.631 0.312 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 5.949 -1.420 0.028 0.00 0.00 +0.012 A ATOM 28 C LIG 1 6.656 -0.337 0.540 0.00 0.00 +0.005 A ATOM 29 C LIG 1 6.221 0.735 1.467 0.00 0.00 +0.080 C ATOM 30 C LIG 1 7.412 1.683 1.327 0.00 0.00 +0.234 C ATOM 31 O LIG 1 8.558 0.936 0.858 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 8.006 -0.166 0.261 0.00 0.00 +0.124 A ATOM 33 C LIG 1 8.712 -1.049 -0.532 0.00 0.00 +0.049 A ATOM 34 C LIG 1 8.019 -2.131 -1.073 0.00 0.00 +0.042 A ATOM 35 C LIG 1 6.656 -2.305 -0.796 0.00 0.00 +0.129 A ATOM 36 F LIG 1 6.021 -3.351 -1.344 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 6