REMARK Name = BDB013708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.076 -0.214 -0.339 0.00 0.00 -0.321 N ATOM 2 H LIG 1 -0.209 -0.342 0.633 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.444 -0.222 -0.526 0.00 0.00 +0.166 A ATOM 4 C LIG 1 2.273 -0.725 0.600 0.00 0.00 +0.117 A ATOM 5 C LIG 1 3.636 -0.779 0.443 0.00 0.00 +0.070 A ATOM 6 C LIG 1 4.400 -1.255 1.509 0.00 0.00 +0.017 A ATOM 7 C LIG 1 3.757 -1.648 2.682 0.00 0.00 +0.020 A ATOM 8 C LIG 1 2.373 -1.549 2.747 0.00 0.00 +0.111 A ATOM 9 C LIG 1 4.229 -0.333 -0.819 0.00 0.00 +0.276 A ATOM 10 O LIG 1 5.448 -0.411 -0.959 0.00 0.00 -0.266 OA ATOM 11 N LIG 1 3.350 0.162 -1.778 0.00 0.00 -0.230 N ATOM 12 C LIG 1 3.854 0.604 -3.066 0.00 0.00 +0.176 C ATOM 13 N LIG 1 1.605 -1.094 1.733 0.00 0.00 -0.251 NA ATOM 14 N LIG 1 1.982 0.194 -1.637 0.00 0.00 -0.151 NA ENDBRANCH 1 3 BRANCH 1 16 ATOM 15 C LIG 1 -2.346 0.157 -1.010 0.00 0.00 +0.107 C ATOM 16 C LIG 1 -0.839 0.604 -1.139 0.00 0.00 +0.098 C ATOM 17 C LIG 1 -0.820 2.059 -0.609 0.00 0.00 +0.059 C ATOM 18 C LIG 1 -1.912 2.028 0.423 0.00 0.00 -0.041 A ATOM 19 C LIG 1 -2.135 2.937 1.444 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -3.251 2.752 2.262 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.134 1.684 2.039 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.909 0.781 0.998 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -2.783 0.950 0.205 0.00 0.00 -0.025 A BRANCH 15 25 ATOM 24 C LIG 1 -2.434 -1.862 -2.336 0.00 0.00 +0.105 C ATOM 25 N LIG 1 -2.749 -1.262 -1.038 0.00 0.00 -0.300 NA ATOM 26 C LIG 1 -2.216 -2.101 0.032 0.00 0.00 +0.105 C ENDBRANCH 15 25 ENDBRANCH 1 16 TORSDOF 3