REMARK Name = BDB016425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.929 0.472 0.044 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.854 1.292 0.089 0.00 0.00 -0.254 NA ATOM 3 C LIG 1 0.712 0.798 0.628 0.00 0.00 +0.120 A ATOM 4 C LIG 1 0.556 -0.492 1.154 0.00 0.00 +0.008 A ATOM 5 C LIG 1 1.698 -1.319 1.106 0.00 0.00 -0.014 A ATOM 6 C LIG 1 1.630 -2.625 1.614 0.00 0.00 +0.008 A ATOM 7 C LIG 1 0.447 -3.119 2.159 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -0.685 -2.311 2.208 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -0.654 -0.995 1.713 0.00 0.00 -0.007 A ATOM 10 C LIG 1 2.888 -0.824 0.552 0.00 0.00 +0.037 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 -1.886 -0.177 1.792 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -2.851 -0.144 0.729 0.00 0.00 +0.057 A ATOM 13 N LIG 1 -2.599 -0.957 -0.383 0.00 0.00 -0.339 N ATOM 14 H LIG 1 -1.620 -1.223 -0.464 0.00 0.00 +0.146 HD ATOM 15 C LIG 1 -3.213 -0.768 -1.685 0.00 0.00 +0.076 C ATOM 16 C LIG 1 -4.698 -1.022 -1.617 0.00 0.00 +0.118 C ATOM 17 C LIG 1 -5.474 0.136 -1.087 0.00 0.00 +0.219 C ATOM 18 N LIG 1 -5.112 0.771 0.052 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -5.810 1.461 0.303 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -6.512 0.500 -1.650 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -2.784 0.538 -2.347 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -4.013 0.638 0.924 0.00 0.00 +0.055 A ATOM 23 C LIG 1 -4.145 1.413 2.097 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -3.186 1.396 3.102 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -2.067 0.595 2.954 0.00 0.00 +0.010 A ENDBRANCH 9 11 BRANCH 1 27 ATOM 26 C LIG 1 4.939 0.336 -1.370 0.00 0.00 +0.078 C ATOM 27 C LIG 1 4.161 1.052 -0.534 0.00 0.00 +0.031 C BRANCH 26 29 ATOM 28 C LIG 1 6.657 -0.107 -3.126 0.00 0.00 +0.125 C ATOM 29 N LIG 1 6.104 0.667 -2.032 0.00 0.00 -0.352 N ATOM 30 H LIG 1 6.308 1.663 -2.089 0.00 0.00 +0.145 HD ENDBRANCH 26 29 BRANCH 27 31 ATOM 31 C LIG 1 4.561 2.450 -0.198 0.00 0.00 +0.112 C ATOM 32 N LIG 1 3.820 3.351 0.361 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 2.875 2.953 0.504 0.00 0.00 +0.186 HD ENDBRANCH 27 31 ENDBRANCH 1 27 TORSDOF 4