REMARK Name = BDB020666 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.573 1.110 -1.647 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.074 -0.203 -1.816 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.725 -1.241 -2.566 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.341 -0.374 -1.336 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.998 0.761 -0.779 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.404 2.016 -0.668 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -2.302 2.894 -0.102 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -3.508 2.188 0.135 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -3.288 0.888 -0.286 0.00 0.00 +0.100 A ATOM 10 C LIG 1 -0.067 2.166 -1.115 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -4.757 2.660 0.711 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -5.991 2.125 0.355 0.00 0.00 +0.121 A ATOM 13 N LIG 1 -7.186 2.532 0.857 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -7.162 3.526 1.758 0.00 0.00 +0.116 A ATOM 15 C LIG 1 -5.987 4.137 2.170 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -4.772 3.699 1.642 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 N LIG 1 -8.393 3.953 2.245 0.00 0.00 -0.343 N ATOM 18 H LIG 1 -9.097 3.341 1.840 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -8.421 3.943 3.257 0.00 0.00 +0.144 HD ENDBRANCH 14 17 ENDBRANCH 8 11 BRANCH 1 22 ATOM 20 N LIG 1 2.877 0.687 -1.184 0.00 0.00 -0.307 N ATOM 21 H LIG 1 2.500 -0.023 -0.565 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 2.001 1.362 -1.996 0.00 0.00 +0.245 C ATOM 23 O LIG 1 2.326 2.114 -2.906 0.00 0.00 -0.270 OA BRANCH 20 24 ATOM 24 C LIG 1 4.279 0.586 -1.512 0.00 0.00 +0.145 C BRANCH 24 31 ATOM 25 C LIG 1 7.363 -0.714 3.242 0.00 0.00 +0.063 C ATOM 26 C LIG 1 6.589 -0.280 2.037 0.00 0.00 +0.016 A ATOM 27 N LIG 1 5.790 -1.218 1.433 0.00 0.00 -0.326 N ATOM 28 H LIG 1 5.727 -2.153 1.816 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 5.000 -0.977 0.339 0.00 0.00 +0.254 A ATOM 30 O LIG 1 4.254 -1.840 -0.114 0.00 0.00 -0.268 OA ATOM 31 C LIG 1 5.072 0.399 -0.254 0.00 0.00 +0.037 A ATOM 32 C LIG 1 5.854 1.321 0.351 0.00 0.00 -0.039 A ATOM 33 C LIG 1 6.009 2.750 -0.089 0.00 0.00 +0.044 C ATOM 34 C LIG 1 6.627 0.962 1.533 0.00 0.00 +0.024 A ENDBRANCH 24 31 ENDBRANCH 20 24 ENDBRANCH 1 22 BRANCH 4 35 ATOM 35 C LIG 1 -2.112 -1.709 -1.358 0.00 0.00 +0.101 C ATOM 36 C LIG 1 -2.794 -1.828 -2.735 0.00 0.00 +0.031 C BRANCH 35 37 ATOM 37 N LIG 1 -1.282 -2.883 -0.982 0.00 0.00 -0.290 NA ATOM 38 C LIG 1 -0.720 -2.726 0.389 0.00 0.00 +0.113 C ATOM 39 C LIG 1 -0.362 -4.071 1.038 0.00 0.00 +0.175 C ATOM 40 O LIG 1 -1.516 -4.897 1.245 0.00 0.00 -0.377 OA ATOM 41 C LIG 1 -2.520 -4.714 0.239 0.00 0.00 +0.175 C ATOM 42 C LIG 1 -1.957 -4.194 -1.094 0.00 0.00 +0.113 C ENDBRANCH 35 37 ENDBRANCH 4 35 TORSDOF 7