REMARK Name = BDB023992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.633 -0.945 -1.121 0.00 0.00 +0.003 A ATOM 2 C LIG 1 0.513 -0.303 -0.631 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.763 -0.929 -0.701 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.879 -2.191 -1.299 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.744 -2.828 -1.803 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.505 -2.209 -1.712 0.00 0.00 +0.010 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -4.411 -4.205 1.722 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -5.424 -3.255 1.133 0.00 0.00 +0.213 C ATOM 9 N LIG 1 -4.939 -2.219 0.344 0.00 0.00 -0.297 N ATOM 10 C LIG 1 -3.552 -2.199 -0.165 0.00 0.00 +0.146 C ATOM 11 C LIG 1 -3.182 -0.833 -0.623 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -1.934 -0.286 -1.025 0.00 0.00 +0.098 A ATOM 13 N LIG 1 -2.063 1.018 -1.317 0.00 0.00 -0.170 NA ATOM 14 N LIG 1 -3.363 1.305 -1.113 0.00 0.00 -0.262 N ATOM 15 C LIG 1 -4.074 0.214 -0.714 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -5.516 0.125 -0.375 0.00 0.00 +0.074 C ATOM 17 C LIG 1 -5.926 -1.362 -0.346 0.00 0.00 +0.114 C ATOM 18 O LIG 1 -6.622 -3.411 1.369 0.00 0.00 -0.276 OA BRANCH 14 19 ATOM 19 C LIG 1 -3.845 2.647 -1.321 0.00 0.00 +0.135 C ATOM 20 C LIG 1 -3.067 3.730 -0.595 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -3.366 4.961 -1.280 0.00 0.00 -0.378 OA ATOM 22 C LIG 1 -3.887 4.635 -2.578 0.00 0.00 +0.162 C ATOM 23 C LIG 1 -3.773 3.135 -2.753 0.00 0.00 +0.057 C ENDBRANCH 14 19 ENDBRANCH 1 12 BRANCH 3 24 ATOM 24 C LIG 1 2.951 -0.213 -0.156 0.00 0.00 +0.248 C ATOM 25 N LIG 1 3.881 -1.024 0.469 0.00 0.00 -0.280 N ATOM 26 H LIG 1 3.633 -1.997 0.594 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 3.001 1.005 -0.268 0.00 0.00 -0.270 OA BRANCH 25 28 ATOM 28 C LIG 1 5.110 -0.624 1.041 0.00 0.00 +0.053 A ATOM 29 C LIG 1 5.625 0.666 0.988 0.00 0.00 +0.035 A ATOM 30 C LIG 1 6.863 0.959 1.584 0.00 0.00 +0.002 A ATOM 31 C LIG 1 7.560 -0.085 2.228 0.00 0.00 +0.071 A ATOM 32 C LIG 1 8.784 0.207 2.817 0.00 0.00 +0.028 A ATOM 33 C LIG 1 9.328 1.494 2.784 0.00 0.00 +0.002 A ATOM 34 C LIG 1 8.639 2.520 2.148 0.00 0.00 +0.001 A ATOM 35 N LIG 1 7.079 -1.337 2.286 0.00 0.00 -0.253 NA ATOM 36 C LIG 1 7.409 2.255 1.549 0.00 0.00 +0.010 A ATOM 37 C LIG 1 5.881 -1.576 1.700 0.00 0.00 +0.134 A ENDBRANCH 25 28 ENDBRANCH 3 24 TORSDOF 4