REMARK Name = BDB058026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.183 -3.527 1.450 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.377 -3.343 2.716 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.717 -2.970 2.818 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -2.485 -2.790 1.659 0.00 0.00 -0.021 A ATOM 5 C LIG 1 -1.934 -3.075 0.401 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -0.595 -3.442 0.292 0.00 0.00 +0.013 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 4.689 0.169 -1.165 0.00 0.00 +0.242 A ATOM 8 N LIG 1 3.784 -0.597 -0.476 0.00 0.00 -0.303 N ATOM 9 C LIG 1 2.373 -0.376 -0.244 0.00 0.00 +0.144 C ATOM 10 C LIG 1 1.879 -1.206 0.938 0.00 0.00 +0.130 C ATOM 11 N LIG 1 2.371 -2.594 0.866 0.00 0.00 -0.288 N ATOM 12 C LIG 1 3.824 -2.765 0.807 0.00 0.00 +0.184 C ATOM 13 C LIG 1 1.640 -3.693 1.323 0.00 0.00 +0.247 C ATOM 14 O LIG 1 2.131 -4.778 1.613 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 4.465 -1.684 0.009 0.00 0.00 +0.151 A ATOM 16 N LIG 1 5.732 -1.567 -0.318 0.00 0.00 -0.132 NA ATOM 17 N LIG 1 5.874 -0.406 -1.041 0.00 0.00 -0.122 NA BRANCH 7 18 ATOM 18 C LIG 1 4.496 1.390 -1.916 0.00 0.00 +0.377 C ATOM 19 O LIG 1 5.378 2.137 -2.321 0.00 0.00 -0.241 OA BRANCH 18 20 ATOM 20 O LIG 1 3.163 1.607 -2.139 0.00 0.00 -0.459 OA BRANCH 20 22 ATOM 21 C LIG 1 2.695 3.972 -1.955 0.00 0.00 +0.048 C ATOM 22 C LIG 1 2.842 2.787 -2.890 0.00 0.00 +0.229 C ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 7 18 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 -3.807 -2.171 1.765 0.00 0.00 +0.058 C ATOM 24 C LIG 1 -3.995 -0.924 1.315 0.00 0.00 +0.176 C ATOM 25 C LIG 1 -5.261 -0.161 1.435 0.00 0.00 +0.231 C ATOM 26 O LIG 1 -6.322 -0.505 1.905 0.00 0.00 -0.283 OA ATOM 27 C LIG 1 -4.921 1.129 0.841 0.00 0.00 +0.068 A ATOM 28 C LIG 1 -3.591 1.066 0.426 0.00 0.00 +0.152 A ATOM 29 C LIG 1 -2.989 2.143 -0.199 0.00 0.00 +0.079 A ATOM 30 C LIG 1 -3.764 3.307 -0.369 0.00 0.00 +0.017 A ATOM 31 C LIG 1 -5.107 3.358 0.062 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -5.703 2.254 0.673 0.00 0.00 +0.015 A ATOM 33 O LIG 1 -3.015 -0.152 0.695 0.00 0.00 -0.451 OA BRANCH 29 34 ATOM 34 C LIG 1 -1.579 2.063 -0.662 0.00 0.00 +0.245 C ATOM 35 O LIG 1 -0.746 1.331 -0.144 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -1.244 2.837 -1.741 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -1.939 3.247 -2.350 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -0.324 2.682 -2.132 0.00 0.00 +0.145 HD ENDBRANCH 29 34 ENDBRANCH 4 23 TORSDOF 6