REMARK Name = BDB013710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.348 -1.066 0.292 0.00 0.00 -0.322 N ATOM 2 H LIG 1 -0.006 -1.231 -0.653 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.636 -0.559 0.311 0.00 0.00 +0.147 A ATOM 4 C LIG 1 2.621 -1.081 -0.674 0.00 0.00 +0.029 A ATOM 5 C LIG 1 3.877 -0.491 -0.716 0.00 0.00 +0.051 A ATOM 6 C LIG 1 4.835 -0.930 -1.641 0.00 0.00 +0.014 A ATOM 7 C LIG 1 4.532 -1.973 -2.517 0.00 0.00 +0.001 A ATOM 8 C LIG 1 3.280 -2.582 -2.463 0.00 0.00 +0.001 A ATOM 9 C LIG 1 4.202 0.587 0.232 0.00 0.00 +0.275 A ATOM 10 O LIG 1 5.298 1.139 0.164 0.00 0.00 -0.266 OA ATOM 11 N LIG 1 3.222 0.901 1.164 0.00 0.00 -0.230 N ATOM 12 C LIG 1 3.458 1.954 2.133 0.00 0.00 +0.176 C ATOM 13 C LIG 1 2.325 -2.141 -1.543 0.00 0.00 +0.012 A ATOM 14 N LIG 1 1.961 0.366 1.169 0.00 0.00 -0.153 NA ENDBRANCH 1 3 BRANCH 1 16 ATOM 15 C LIG 1 -1.466 0.698 0.226 0.00 0.00 +0.107 C ATOM 16 C LIG 1 -0.732 -0.425 1.056 0.00 0.00 +0.098 C ATOM 17 C LIG 1 -1.820 -1.463 1.408 0.00 0.00 +0.059 C ATOM 18 C LIG 1 -3.021 -0.582 1.551 0.00 0.00 -0.041 A ATOM 19 C LIG 1 -4.208 -0.861 2.207 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -5.203 0.118 2.220 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.003 1.352 1.582 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.806 1.621 0.913 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -2.825 0.640 0.893 0.00 0.00 -0.025 A BRANCH 15 25 ATOM 24 C LIG 1 -0.536 1.352 -1.914 0.00 0.00 +0.105 C ATOM 25 N LIG 1 -1.415 0.389 -1.237 0.00 0.00 -0.300 NA ATOM 26 C LIG 1 -2.706 0.354 -1.922 0.00 0.00 +0.105 C ENDBRANCH 15 25 ENDBRANCH 1 16 TORSDOF 3