REMARK Name = BDB031317 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.351 1.367 -0.329 0.00 0.00 +0.147 A ATOM 2 N LIG 1 -1.294 0.442 0.132 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -2.381 1.175 0.600 0.00 0.00 +0.074 A ATOM 4 C LIG 1 -2.034 2.503 0.371 0.00 0.00 +0.091 A ATOM 5 C LIG 1 -2.915 3.538 0.722 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -4.158 3.208 1.277 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -4.503 1.866 1.479 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -3.631 0.825 1.134 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.802 2.601 -0.209 0.00 0.00 -0.227 NA ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -1.167 -0.979 0.141 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -1.584 -1.703 1.271 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -1.399 -3.065 1.231 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.840 -3.713 0.131 0.00 0.00 +0.067 A ATOM 14 N LIG 1 -0.787 -5.072 0.415 0.00 0.00 -0.306 N ATOM 15 H LIG 1 -0.449 -5.812 -0.179 0.00 0.00 +0.170 HD ATOM 16 C LIG 1 -1.313 -5.286 1.697 0.00 0.00 +0.325 A ATOM 17 O LIG 1 -1.422 -6.354 2.270 0.00 0.00 -0.247 OA ATOM 18 C LIG 1 -0.436 -3.034 -0.992 0.00 0.00 +0.030 A ATOM 19 N LIG 1 -1.684 -4.027 2.193 0.00 0.00 -0.306 N ATOM 20 H LIG 1 -2.101 -3.889 3.100 0.00 0.00 +0.170 HD ATOM 21 C LIG 1 -0.601 -1.643 -0.980 0.00 0.00 +0.028 A ENDBRANCH 2 10 BRANCH 1 29 ATOM 22 C LIG 1 3.157 0.111 -0.298 0.00 0.00 +0.090 A ATOM 23 N LIG 1 3.601 0.357 -1.545 0.00 0.00 -0.245 NA ATOM 24 C LIG 1 2.778 0.963 -2.415 0.00 0.00 +0.072 A ATOM 25 C LIG 1 1.458 1.341 -2.090 0.00 0.00 +0.011 A ATOM 26 C LIG 1 0.665 1.970 -3.082 0.00 0.00 +0.011 A ATOM 27 C LIG 1 1.165 2.214 -4.359 0.00 0.00 +0.001 A ATOM 28 C LIG 1 2.463 1.835 -4.667 0.00 0.00 +0.002 A ATOM 29 C LIG 1 1.013 1.048 -0.777 0.00 0.00 +0.029 A ATOM 30 C LIG 1 3.252 1.217 -3.695 0.00 0.00 +0.028 A ATOM 31 C LIG 1 1.889 0.448 0.133 0.00 0.00 +0.042 A BRANCH 22 34 ATOM 32 C LIG 1 2.799 -2.553 1.292 0.00 0.00 +0.150 C ATOM 33 N LIG 1 3.953 -1.687 1.293 0.00 0.00 -0.332 N ATOM 34 C LIG 1 4.131 -0.528 0.569 0.00 0.00 +0.087 A ATOM 35 C LIG 1 5.443 -0.177 0.832 0.00 0.00 +0.140 A ATOM 36 N LIG 1 6.027 -1.037 1.727 0.00 0.00 -0.243 NA ATOM 37 C LIG 1 5.107 -1.938 1.981 0.00 0.00 +0.199 A ENDBRANCH 22 34 ENDBRANCH 1 29 BRANCH 6 38 ATOM 38 C LIG 1 -5.142 4.249 1.677 0.00 0.00 +0.242 C ATOM 39 O LIG 1 -6.060 3.998 2.449 0.00 0.00 -0.270 OA ATOM 40 N LIG 1 -5.014 5.495 1.129 0.00 0.00 -0.325 N ATOM 41 H LIG 1 -5.757 6.150 1.336 0.00 0.00 +0.145 HD ATOM 42 H LIG 1 -4.440 5.686 0.321 0.00 0.00 +0.145 HD ENDBRANCH 6 38 TORSDOF 4