REMARK Name = BDB016894 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.510 -1.321 0.325 0.00 0.00 +0.146 A ATOM 2 N LIG 1 2.000 -0.050 0.070 0.00 0.00 -0.339 N ATOM 3 H LIG 1 2.557 0.751 -0.206 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 0.671 -0.128 0.290 0.00 0.00 +0.074 A ATOM 5 C LIG 1 -0.512 0.736 0.242 0.00 0.00 +0.161 C ATOM 6 N LIG 1 -1.573 -0.253 0.671 0.00 0.00 -0.252 N ATOM 7 C LIG 1 -1.008 -1.554 0.915 0.00 0.00 +0.272 C ATOM 8 O LIG 1 -1.547 -2.585 1.283 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 0.404 -1.403 0.655 0.00 0.00 +0.149 A ATOM 10 N LIG 1 1.531 -2.155 0.679 0.00 0.00 -0.223 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.906 0.113 0.892 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -3.351 1.377 0.725 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -4.692 1.693 0.937 0.00 0.00 -0.282 N ATOM 14 C LIG 1 -5.644 0.779 1.342 0.00 0.00 +0.203 A ATOM 15 N LIG 1 -6.807 1.387 1.458 0.00 0.00 -0.126 NA ATOM 16 N LIG 1 -6.631 2.712 1.125 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -5.211 -0.562 1.547 0.00 0.00 +0.166 A ATOM 18 C LIG 1 -5.368 2.889 0.802 0.00 0.00 +0.135 A ATOM 19 C LIG 1 -4.747 4.154 0.352 0.00 0.00 +0.088 C ATOM 20 C LIG 1 -3.911 -0.873 1.324 0.00 0.00 +0.074 A BRANCH 17 21 ATOM 21 O LIG 1 -6.211 -1.404 1.967 0.00 0.00 -0.491 OA ATOM 22 C LIG 1 -5.866 -2.747 2.274 0.00 0.00 +0.277 C ENDBRANCH 17 21 ENDBRANCH 6 11 BRANCH 5 23 ATOM 23 C LIG 1 -0.715 1.345 -1.132 0.00 0.00 -0.021 A ATOM 24 C LIG 1 -1.220 0.602 -2.213 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -1.395 1.198 -3.465 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -1.059 2.535 -3.649 0.00 0.00 +0.041 A ATOM 27 CL LIG 1 -1.281 3.273 -5.188 0.00 0.00 -0.084 Cl ATOM 28 C LIG 1 -0.541 3.283 -2.595 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -0.364 2.689 -1.344 0.00 0.00 +0.007 A ENDBRANCH 5 23 BRANCH 1 33 ATOM 30 C LIG 1 6.522 -2.458 0.053 0.00 0.00 +0.321 A ATOM 31 N LIG 1 6.253 -1.169 -0.178 0.00 0.00 -0.159 NA ATOM 32 C LIG 1 4.958 -0.805 -0.090 0.00 0.00 +0.231 A ATOM 33 C LIG 1 3.923 -1.676 0.221 0.00 0.00 +0.097 A ATOM 34 C LIG 1 4.335 -2.975 0.449 0.00 0.00 +0.133 A ATOM 35 N LIG 1 5.618 -3.393 0.376 0.00 0.00 -0.202 NA BRANCH 30 37 ATOM 36 C LIG 1 8.079 -4.192 -0.041 0.00 0.00 +0.280 C ATOM 37 O LIG 1 7.856 -2.788 -0.029 0.00 0.00 -0.466 OA ENDBRANCH 30 37 BRANCH 32 38 ATOM 38 O LIG 1 4.641 0.530 -0.317 0.00 0.00 -0.479 OA ATOM 39 C LIG 1 5.795 1.354 -0.497 0.00 0.00 +0.279 C ENDBRANCH 32 38 ENDBRANCH 1 33 TORSDOF 6