REMARK Name = BDB012990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.065 0.907 -0.228 0.00 0.00 -0.252 N ATOM 2 H LIG 1 -0.637 0.488 0.365 0.00 0.00 +0.158 HD ATOM 3 C LIG 1 -0.331 1.750 -1.250 0.00 0.00 +0.250 C ATOM 4 O LIG 1 0.365 2.247 -2.126 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 5 C LIG 1 5.745 -0.413 0.377 0.00 0.00 +0.134 A ATOM 6 C LIG 1 4.872 0.354 -0.401 0.00 0.00 +0.076 A ATOM 7 C LIG 1 3.507 0.302 -0.089 0.00 0.00 +0.094 A ATOM 8 C LIG 1 3.077 -0.485 0.973 0.00 0.00 +0.068 A ATOM 9 N LIG 1 1.717 -0.306 0.985 0.00 0.00 -0.326 N ATOM 10 H LIG 1 1.074 -0.732 1.633 0.00 0.00 +0.169 HD ATOM 11 C LIG 1 1.377 0.557 -0.029 0.00 0.00 +0.201 A ATOM 12 C LIG 1 3.937 -1.239 1.774 0.00 0.00 +0.031 A ATOM 13 N LIG 1 2.448 0.939 -0.684 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 5.299 -1.179 1.457 0.00 0.00 +0.048 A BRANCH 5 15 ATOM 15 O LIG 1 7.113 -0.307 0.078 0.00 0.00 -0.425 OA BRANCH 15 16 ATOM 16 C LIG 1 7.786 -1.491 -0.226 0.00 0.00 +0.318 C ATOM 17 O LIG 1 7.292 -2.611 -0.242 0.00 0.00 -0.250 OA BRANCH 16 19 ATOM 18 C LIG 1 9.918 -0.547 0.692 0.00 0.00 +0.022 C ATOM 19 C LIG 1 9.255 -1.181 -0.539 0.00 0.00 +0.060 C ATOM 20 C LIG 1 9.989 -2.487 -0.884 0.00 0.00 +0.022 C ATOM 21 C LIG 1 9.336 -0.231 -1.741 0.00 0.00 +0.022 C ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 5 15 ENDBRANCH 1 11 BRANCH 3 22 ATOM 22 C LIG 1 -1.796 2.032 -1.278 0.00 0.00 +0.037 A ATOM 23 C LIG 1 -2.548 2.113 -0.100 0.00 0.00 +0.018 A ATOM 24 C LIG 1 -3.936 2.313 -0.150 0.00 0.00 -0.025 A ATOM 25 C LIG 1 -4.558 2.459 -1.397 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -3.805 2.423 -2.572 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -2.426 2.211 -2.514 0.00 0.00 +0.013 A BRANCH 24 28 ATOM 28 C LIG 1 -4.745 2.309 1.127 0.00 0.00 +0.182 C BRANCH 28 29 ATOM 29 N LIG 1 -5.299 0.989 1.411 0.00 0.00 -0.225 N ATOM 30 C LIG 1 -4.498 0.019 1.998 0.00 0.00 +0.268 A ATOM 31 O LIG 1 -3.321 0.166 2.324 0.00 0.00 -0.266 OA ATOM 32 C LIG 1 -5.138 -1.294 2.222 0.00 0.00 +0.074 A ATOM 33 C LIG 1 -6.405 -1.513 1.869 0.00 0.00 +0.035 A ATOM 34 C LIG 1 -7.135 -0.384 1.252 0.00 0.00 +0.093 A ATOM 35 N LIG 1 -6.609 0.781 1.027 0.00 0.00 -0.168 NA BRANCH 34 36 ATOM 36 C LIG 1 -8.544 -0.622 0.848 0.00 0.00 +0.020 A ATOM 37 C LIG 1 -9.398 -1.453 1.563 0.00 0.00 +0.120 A ATOM 38 N LIG 1 -10.687 -1.692 1.218 0.00 0.00 -0.263 NA ATOM 39 C LIG 1 -11.150 -1.057 0.119 0.00 0.00 +0.111 A ATOM 40 C LIG 1 -10.386 -0.194 -0.649 0.00 0.00 +0.020 A ATOM 41 C LIG 1 -9.062 0.028 -0.275 0.00 0.00 +0.013 A ENDBRANCH 34 36 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 3 22 TORSDOF 8