REMARK Name = BDB010394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.916 -0.537 1.147 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.852 -0.190 0.332 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.278 -0.787 0.850 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.199 -1.484 1.952 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.557 -2.252 2.751 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.834 -2.286 2.352 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.388 -1.652 1.303 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.632 -0.857 0.523 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.538 -1.318 2.127 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.727 -3.120 3.188 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.217 -3.760 4.253 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.264 -3.741 4.575 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.225 -4.430 4.826 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.148 -5.128 5.824 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.367 -4.199 4.101 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.995 -3.325 3.028 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 4.151 -1.232 0.579 0.00 0.00 +0.130 C ATOM 18 N LIG 1 3.179 -0.130 0.867 0.00 0.00 -0.292 N ATOM 19 C LIG 1 3.791 0.758 1.867 0.00 0.00 +0.109 C ATOM 20 C LIG 1 5.280 0.648 1.585 0.00 0.00 +0.021 C ATOM 21 C LIG 1 5.440 -0.840 1.332 0.00 0.00 +0.030 C BRANCH 17 24 ATOM 22 C LIG 1 2.721 -3.482 -1.337 0.00 0.00 +0.071 C ATOM 23 C LIG 1 3.739 -2.472 -1.694 0.00 0.00 +0.106 A ATOM 24 C LIG 1 4.367 -1.503 -0.883 0.00 0.00 +0.127 A ATOM 25 N LIG 1 5.187 -0.764 -1.638 0.00 0.00 -0.052 NA ATOM 26 O LIG 1 5.078 -1.295 -2.918 0.00 0.00 -0.242 OA ATOM 27 N LIG 1 4.170 -2.348 -2.951 0.00 0.00 -0.054 NA ENDBRANCH 17 24 ENDBRANCH 1 18 BRANCH 8 28 ATOM 28 N LIG 1 -2.192 -0.161 -0.533 0.00 0.00 -0.324 N ATOM 29 H LIG 1 -1.755 0.740 -0.667 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.642 -0.109 -0.768 0.00 0.00 +0.072 C ATOM 31 C LIG 1 -4.396 0.524 0.398 0.00 0.00 +0.028 C BRANCH 30 32 ATOM 32 C LIG 1 -4.222 -1.438 -1.266 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -4.801 -2.531 -0.319 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -5.835 -2.836 -1.423 0.00 0.00 +0.001 C ATOM 35 C LIG 1 -5.644 -1.384 -1.901 0.00 0.00 +0.005 C ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 8 28 BRANCH 2 36 ATOM 36 C LIG 1 0.983 0.547 -0.914 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 1.217 2.060 -0.745 0.00 0.00 +0.009 C ATOM 38 C LIG 1 0.007 2.787 -0.141 0.00 0.00 +0.005 C ATOM 39 C LIG 1 0.269 4.285 0.001 0.00 0.00 +0.003 C ATOM 40 C LIG 1 0.652 4.921 -1.341 0.00 0.00 -0.014 C ATOM 41 C LIG 1 0.964 6.406 -1.166 0.00 0.00 +0.007 C ATOM 42 C LIG 1 1.844 4.189 -1.971 0.00 0.00 +0.003 C ATOM 43 C LIG 1 1.586 2.689 -2.098 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 8