REMARK Name = BDB038671 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.452 -0.133 -1.290 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -3.095 0.166 -1.125 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -2.158 -0.856 -1.048 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.535 -2.141 -1.185 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.831 -2.472 -1.391 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.806 -1.477 -1.437 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.802 -0.565 -0.793 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.216 -1.514 -0.714 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.216 -2.722 -0.866 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.445 -0.782 -0.379 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.135 0.567 -0.252 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.117 1.482 0.075 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.421 1.009 0.266 0.00 0.00 +0.006 A ATOM 14 C LIG 1 3.742 -0.362 0.122 0.00 0.00 -0.021 A ATOM 15 C LIG 1 2.725 -1.274 -0.196 0.00 0.00 +0.019 A ATOM 16 C LIG 1 -0.318 0.777 -0.509 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.147 -0.858 0.371 0.00 0.00 +0.195 C BRANCH 17 18 ATOM 18 O LIG 1 6.088 0.074 -0.159 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 7.445 -0.331 0.012 0.00 0.00 +0.163 C BRANCH 19 20 ATOM 20 C LIG 1 7.958 -0.035 1.430 0.00 0.00 +0.015 C ATOM 21 C LIG 1 7.916 1.452 1.783 0.00 0.00 +0.006 C ATOM 22 C LIG 1 9.186 2.035 1.172 0.00 0.00 +0.000 C ATOM 23 C LIG 1 10.176 0.875 1.066 0.00 0.00 +0.000 C ATOM 24 C LIG 1 9.443 -0.360 1.581 0.00 0.00 +0.006 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 -5.586 1.893 -0.246 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -5.479 0.932 -1.284 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -6.386 1.019 -2.360 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -7.358 2.022 -2.415 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -7.443 2.972 -1.397 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.556 2.908 -0.320 0.00 0.00 +0.031 A BRANCH 25 33 ATOM 31 C LIG 1 -5.518 -0.157 2.130 0.00 0.00 +0.152 C ATOM 32 N LIG 1 -4.657 0.976 1.925 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -4.690 1.899 0.909 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -3.740 2.789 1.132 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 -3.062 2.427 2.271 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 -3.626 1.339 2.738 0.00 0.00 +0.225 A ENDBRANCH 25 33 BRANCH 29 37 ATOM 37 C LIG 1 -8.435 4.005 -1.455 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -9.247 4.833 -1.501 0.00 0.00 -0.191 NA ENDBRANCH 29 37 ENDBRANCH 1 26 BRANCH 5 39 ATOM 39 C LIG 1 -4.134 -3.950 -1.543 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -5.385 -4.573 -0.972 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -5.220 -4.456 -2.461 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 9