REMARK Name = BDB003427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.792 1.055 1.617 0.00 0.00 +0.169 A ATOM 2 N LIG 1 0.558 0.087 2.556 0.00 0.00 -0.327 N ATOM 3 H LIG 1 1.143 -0.131 3.351 0.00 0.00 +0.168 HD ATOM 4 C LIG 1 -0.616 -0.513 2.205 0.00 0.00 +0.150 A ATOM 5 C LIG 1 -1.335 -1.570 2.815 0.00 0.00 +0.282 A ATOM 6 N LIG 1 -2.487 -1.917 2.104 0.00 0.00 -0.262 N ATOM 7 C LIG 1 -2.957 -1.275 0.937 0.00 0.00 +0.333 A ATOM 8 N LIG 1 -2.185 -0.224 0.432 0.00 0.00 -0.280 N ATOM 9 C LIG 1 -2.584 0.469 -0.780 0.00 0.00 +0.155 C ATOM 10 O LIG 1 -4.001 -1.634 0.387 0.00 0.00 -0.246 OA ATOM 11 C LIG 1 -3.309 -2.986 2.636 0.00 0.00 +0.157 C ATOM 12 O LIG 1 -0.966 -2.096 3.860 0.00 0.00 -0.265 OA ATOM 13 C LIG 1 -1.024 0.127 1.076 0.00 0.00 +0.169 A ATOM 14 N LIG 1 -0.158 1.112 0.709 0.00 0.00 -0.204 NA ENDROOT BRANCH 1 15 ATOM 15 S LIG 1 2.196 2.043 1.732 0.00 0.00 -0.077 S BRANCH 15 16 ATOM 16 C LIG 1 2.233 2.793 0.079 0.00 0.00 +0.197 C BRANCH 16 17 ATOM 17 C LIG 1 3.014 1.932 -0.882 0.00 0.00 +0.317 C ATOM 18 O LIG 1 4.164 2.176 -1.233 0.00 0.00 -0.250 OA BRANCH 17 19 ATOM 19 O LIG 1 2.280 0.865 -1.303 0.00 0.00 -0.464 OA BRANCH 19 21 ATOM 20 C LIG 1 2.669 0.392 -3.638 0.00 0.00 +0.048 C ATOM 21 C LIG 1 2.932 -0.037 -2.207 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 5