REMARK Name = BDB004810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.831 0.381 0.296 0.00 0.00 +0.130 A ATOM 2 C LIG 1 2.015 -0.093 -0.307 0.00 0.00 +0.044 A ATOM 3 C LIG 1 3.213 0.502 0.124 0.00 0.00 +0.088 A ATOM 4 C LIG 1 4.403 0.055 -0.470 0.00 0.00 +0.066 A ATOM 5 C LIG 1 4.429 -0.942 -1.456 0.00 0.00 +0.060 A ATOM 6 C LIG 1 3.242 -1.523 -1.856 0.00 0.00 +0.118 A ATOM 7 N LIG 1 3.207 1.478 1.048 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 2.034 1.826 1.580 0.00 0.00 +0.223 A ATOM 9 C LIG 1 2.042 -1.115 -1.293 0.00 0.00 +0.058 A ATOM 10 N LIG 1 0.843 1.327 1.246 0.00 0.00 -0.220 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 5.701 0.616 -0.040 0.00 0.00 +0.244 C ATOM 12 O LIG 1 6.088 0.572 1.118 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 6.472 1.157 -1.034 0.00 0.00 -0.325 N ATOM 14 H LIG 1 6.110 1.349 -1.957 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 7.318 1.628 -0.742 0.00 0.00 +0.145 HD ENDBRANCH 4 11 BRANCH 1 16 ATOM 16 N LIG 1 -0.409 -0.158 -0.111 0.00 0.00 -0.320 N ATOM 17 H LIG 1 -0.501 -0.001 -1.112 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 -1.607 0.342 0.589 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 C LIG 1 -2.808 0.058 -0.315 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -3.168 -1.255 -0.664 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -4.264 -1.497 -1.493 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.012 -0.431 -1.989 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -4.663 0.877 -1.660 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.567 1.121 -0.830 0.00 0.00 +0.005 A ENDBRANCH 18 19 BRANCH 18 25 ATOM 25 C LIG 1 -1.763 -0.331 1.994 0.00 0.00 +0.107 C BRANCH 25 27 ATOM 26 C LIG 1 -2.970 1.376 3.236 0.00 0.00 +0.101 C ATOM 27 N LIG 1 -2.980 -0.001 2.765 0.00 0.00 -0.317 NA ATOM 28 H LIG 1 -3.800 -0.154 2.176 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 3.295 -2.498 -2.803 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 2.410 -2.883 -2.920 0.00 0.00 +0.292 HD ENDBRANCH 6 29 TORSDOF 7