REMARK Name = BDB004925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.953 -1.591 0.662 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.028 -1.662 -0.338 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.329 -2.133 -0.069 0.00 0.00 -0.026 A ATOM 4 C LIG 1 -1.629 -2.525 1.241 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.662 -2.454 2.244 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.623 -1.992 1.955 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.317 -0.903 1.110 0.00 0.00 +0.248 C ATOM 8 N LIG 1 2.233 -1.135 0.283 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.342 -0.894 -0.693 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 3.343 -0.948 2.333 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 6.530 0.795 0.259 0.00 0.00 +0.215 A ATOM 12 N LIG 1 6.926 0.185 -0.879 0.00 0.00 -0.221 NA ATOM 13 C LIG 1 6.140 -0.802 -1.358 0.00 0.00 +0.115 A ATOM 14 C LIG 1 4.956 -1.195 -0.765 0.00 0.00 +0.033 A ATOM 15 C LIG 1 4.564 -0.530 0.397 0.00 0.00 +0.043 A ATOM 16 C LIG 1 5.367 0.474 0.932 0.00 0.00 +0.080 A BRANCH 11 17 ATOM 17 O LIG 1 7.295 1.802 0.809 0.00 0.00 -0.477 OA BRANCH 17 19 ATOM 18 C LIG 1 9.617 1.102 0.671 0.00 0.00 +0.048 C ATOM 19 C LIG 1 8.542 2.042 0.152 0.00 0.00 +0.227 C ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -2.353 -2.182 -1.193 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -3.370 -3.327 -1.160 0.00 0.00 +0.033 C BRANCH 20 22 ATOM 22 N LIG 1 -2.951 -0.865 -1.448 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -2.219 -0.169 -1.563 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.927 -0.316 -0.596 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -4.486 0.943 -0.913 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -5.452 1.454 -0.022 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -6.013 2.715 -0.316 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -5.629 3.439 -1.461 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -4.692 2.923 -2.341 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -5.814 0.745 1.070 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -5.237 -0.445 1.262 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -4.128 1.684 -2.070 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -4.321 -1.009 0.478 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -7.043 3.376 0.546 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -7.450 4.509 0.306 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -7.536 2.689 1.616 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -8.196 3.145 2.230 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -7.160 1.778 1.866 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 8