REMARK Name = BDB010302 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.454 -2.157 0.066 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.085 -1.923 0.182 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.622 -2.506 1.225 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.942 -2.183 1.194 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 2.084 -1.406 0.147 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.083 -3.312 2.154 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.226 -3.503 1.952 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.882 -1.234 -0.520 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -1.998 -2.987 0.979 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -1.892 -4.385 2.937 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -1.162 -4.933 3.923 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -0.175 -4.816 4.086 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -1.999 -5.671 4.663 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -1.700 -6.321 5.652 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.258 -5.574 4.122 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.143 -4.713 2.982 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 3.245 -0.835 -0.296 0.00 0.00 -0.289 N ATOM 18 C LIG 1 4.113 -0.285 0.810 0.00 0.00 +0.132 C ATOM 19 C LIG 1 5.431 0.290 0.216 0.00 0.00 +0.187 C ATOM 20 O LIG 1 6.147 -0.682 -0.564 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 5.321 -1.143 -1.640 0.00 0.00 +0.179 C ATOM 22 C LIG 1 4.046 -1.803 -1.105 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 3.386 0.771 1.642 0.00 0.00 -0.025 A ATOM 24 C LIG 1 2.942 0.443 2.935 0.00 0.00 +0.005 A ATOM 25 C LIG 1 2.277 1.382 3.725 0.00 0.00 +0.000 A ATOM 26 C LIG 1 2.045 2.664 3.237 0.00 0.00 +0.000 A ATOM 27 C LIG 1 2.470 3.005 1.955 0.00 0.00 +0.000 A ATOM 28 C LIG 1 3.129 2.064 1.160 0.00 0.00 +0.005 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 N LIG 1 -2.251 -1.597 -0.922 0.00 0.00 -0.324 N ATOM 30 H LIG 1 -1.952 -0.669 -1.187 0.00 0.00 +0.148 HD BRANCH 29 32 ATOM 31 C LIG 1 -4.303 -1.503 -2.186 0.00 0.00 +0.028 C ATOM 32 C LIG 1 -3.709 -1.717 -0.792 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 -4.252 -0.724 0.245 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -4.128 0.811 0.018 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -5.442 0.957 0.814 0.00 0.00 +0.001 C ATOM 36 C LIG 1 -5.784 -0.485 0.382 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 8 37 ATOM 37 C LIG 1 0.735 -0.552 -1.793 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 0.792 0.985 -1.725 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -0.386 1.592 -0.952 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -0.330 3.119 -0.935 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.267 3.698 -2.353 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -0.157 5.221 -2.308 0.00 0.00 +0.007 C ATOM 43 C LIG 1 0.905 3.093 -3.134 0.00 0.00 +0.003 C ATOM 44 C LIG 1 0.848 1.567 -3.147 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 8