REMARK Name = BDB038800 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.361 -2.027 -0.655 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.174 -1.109 0.289 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -2.141 -0.354 -0.344 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -2.456 -0.684 -1.251 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -0.986 -1.069 1.503 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -3.175 0.332 0.439 0.00 0.00 +0.163 C BRANCH 6 7 ATOM 7 C LIG 1 -4.422 -0.570 0.376 0.00 0.00 +0.231 C ATOM 8 O LIG 1 -4.607 -1.389 -0.524 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -5.349 -0.400 1.361 0.00 0.00 -0.328 N ATOM 10 H LIG 1 -5.310 0.370 2.019 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 -6.203 -0.939 1.308 0.00 0.00 +0.145 HD ENDBRANCH 6 7 BRANCH 6 12 ATOM 12 C LIG 1 -3.466 1.714 -0.160 0.00 0.00 +0.067 C BRANCH 12 13 ATOM 13 C LIG 1 -4.306 2.595 0.735 0.00 0.00 -0.045 A ATOM 14 C LIG 1 -3.771 3.116 1.922 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.555 3.906 2.763 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -5.877 4.187 2.426 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.417 3.681 1.245 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.636 2.889 0.402 0.00 0.00 +0.004 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 0.897 -2.398 -0.010 0.00 0.00 -0.302 N ATOM 20 H LIG 1 0.800 -2.941 0.842 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 2.103 -1.758 0.003 0.00 0.00 +0.230 C ATOM 22 O LIG 1 2.924 -2.132 0.846 0.00 0.00 -0.274 OA BRANCH 21 23 ATOM 23 C LIG 1 2.481 -0.690 -1.050 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 2.525 -1.299 -2.402 0.00 0.00 -0.320 NA ATOM 25 H LIG 1 1.692 -1.867 -2.539 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 3.296 -1.970 -2.401 0.00 0.00 +0.119 HD ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 1.612 0.576 -1.011 0.00 0.00 +0.030 C BRANCH 27 28 ATOM 28 C LIG 1 2.306 1.813 -1.604 0.00 0.00 +0.025 C BRANCH 28 29 ATOM 29 C LIG 1 3.020 2.673 -0.560 0.00 0.00 +0.145 C BRANCH 29 30 ATOM 30 N LIG 1 4.048 1.918 0.138 0.00 0.00 -0.252 NA ATOM 31 C LIG 1 5.263 1.889 -0.278 0.00 0.00 +0.193 C BRANCH 31 32 ATOM 32 N LIG 1 5.740 2.463 -1.416 0.00 0.00 -0.370 N ATOM 33 H LIG 1 5.018 2.699 -2.082 0.00 0.00 +0.159 HD ATOM 34 H LIG 1 6.434 1.867 -1.850 0.00 0.00 +0.159 HD ENDBRANCH 31 32 BRANCH 31 35 ATOM 35 N LIG 1 6.251 1.194 0.392 0.00 0.00 -0.349 N ATOM 36 C LIG 1 5.827 0.318 1.492 0.00 0.00 +0.145 C ATOM 37 C LIG 1 7.535 1.849 0.655 0.00 0.00 +0.145 C ENDBRANCH 31 35 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 19 BRANCH 1 38 ATOM 38 C LIG 1 -1.196 -3.269 -1.072 0.00 0.00 +0.015 C ATOM 39 C LIG 1 -0.477 -4.033 -2.192 0.00 0.00 +0.010 C BRANCH 38 41 ATOM 40 C LIG 1 -2.541 -5.285 -0.232 0.00 0.00 +0.004 C ATOM 41 C LIG 1 -1.534 -4.195 0.117 0.00 0.00 +0.002 C ENDBRANCH 38 41 ENDBRANCH 1 38 TORSDOF 16