REMARK Name = BDB004957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.559 1.716 -0.019 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -0.225 2.092 0.246 0.00 0.00 +0.044 A ATOM 3 C LIG 1 0.077 3.463 0.135 0.00 0.00 +0.088 A ATOM 4 C LIG 1 1.401 3.859 0.410 0.00 0.00 +0.066 A ATOM 5 C LIG 1 2.385 2.919 0.770 0.00 0.00 +0.060 A ATOM 6 C LIG 1 2.087 1.568 0.859 0.00 0.00 +0.122 A ATOM 7 N LIG 1 -0.881 4.346 -0.225 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 -2.107 3.875 -0.477 0.00 0.00 +0.223 A ATOM 9 C LIG 1 0.787 1.160 0.597 0.00 0.00 +0.059 A ATOM 10 N LIG 1 -2.489 2.604 -0.392 0.00 0.00 -0.220 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 1.863 5.281 0.343 0.00 0.00 +0.244 C ATOM 12 O LIG 1 3.021 5.596 0.597 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 0.963 6.242 -0.009 0.00 0.00 -0.325 N ATOM 14 H LIG 1 0.001 6.001 -0.229 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 1.267 7.203 -0.063 0.00 0.00 +0.145 HD ENDBRANCH 4 11 BRANCH 1 16 ATOM 16 N LIG 1 -1.927 0.359 0.097 0.00 0.00 -0.320 N ATOM 17 H LIG 1 -1.700 0.060 1.044 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 -3.333 0.010 -0.210 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 C LIG 1 -3.612 -1.305 0.518 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -2.920 -2.485 0.194 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -3.172 -3.671 0.885 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.111 -3.693 1.914 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -4.796 -2.530 2.256 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.545 -1.341 1.567 0.00 0.00 +0.005 A ENDBRANCH 18 19 BRANCH 18 25 ATOM 25 C LIG 1 -3.555 -0.077 -1.758 0.00 0.00 +0.107 C BRANCH 25 27 ATOM 26 C LIG 1 -5.607 -1.372 -2.084 0.00 0.00 +0.101 C ATOM 27 N LIG 1 -4.954 -0.080 -2.243 0.00 0.00 -0.317 NA ATOM 28 H LIG 1 -4.935 0.146 -3.238 0.00 0.00 +0.122 HD ENDBRANCH 25 27 ENDBRANCH 18 25 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 6 29 ATOM 29 O LIG 1 3.134 0.766 1.207 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 2.900 -0.643 1.257 0.00 0.00 +0.230 C BRANCH 30 31 ATOM 31 C LIG 1 4.212 -1.344 1.605 0.00 0.00 +0.056 C BRANCH 31 32 ATOM 32 C LIG 1 5.273 -1.215 0.502 0.00 0.00 +0.087 C BRANCH 32 33 ATOM 33 N LIG 1 4.878 -1.837 -0.775 0.00 0.00 -0.308 NA ATOM 34 C LIG 1 4.904 -3.300 -0.702 0.00 0.00 +0.104 C ATOM 35 C LIG 1 5.770 -1.383 -1.847 0.00 0.00 +0.104 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 6 29 TORSDOF 11