REMARK Name = BDB053711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.840 0.740 0.063 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -1.080 1.941 -0.607 0.00 0.00 -0.280 N ATOM 3 C LIG 1 0.053 2.752 -0.486 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.947 2.110 0.374 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.139 2.760 0.727 0.00 0.00 +0.121 A ATOM 6 N LIG 1 2.464 3.955 0.186 0.00 0.00 -0.263 NA ATOM 7 C LIG 1 1.615 4.521 -0.693 0.00 0.00 +0.113 A ATOM 8 C LIG 1 0.400 3.977 -1.077 0.00 0.00 +0.046 A ATOM 9 C LIG 1 0.384 0.846 0.712 0.00 0.00 +0.108 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 0.940 -0.130 1.636 0.00 0.00 +0.252 C ATOM 11 N LIG 1 2.137 -0.741 1.278 0.00 0.00 -0.295 N ATOM 12 C LIG 1 2.776 -0.655 -0.042 0.00 0.00 +0.123 C ATOM 13 C LIG 1 3.504 -1.960 -0.409 0.00 0.00 +0.100 C ATOM 14 N LIG 1 4.532 -2.375 0.559 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 4.622 -3.390 0.530 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 4.221 -1.941 1.932 0.00 0.00 +0.100 C ATOM 17 C LIG 1 2.731 -1.692 2.217 0.00 0.00 +0.123 C ATOM 18 O LIG 1 0.375 -0.373 2.700 0.00 0.00 -0.270 OA ENDBRANCH 9 10 BRANCH 2 19 ATOM 19 C LIG 1 -2.281 2.289 -1.306 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -2.766 3.604 -1.258 0.00 0.00 +0.026 A ATOM 21 C LIG 1 -3.939 3.949 -1.933 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.638 2.986 -2.656 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -4.169 1.675 -2.701 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -2.997 1.323 -2.026 0.00 0.00 +0.026 A ENDBRANCH 2 19 BRANCH 1 25 ATOM 25 O LIG 1 -1.776 -0.220 0.091 0.00 0.00 -0.438 OA BRANCH 25 28 ATOM 26 C LIG 1 -2.789 -1.859 2.193 0.00 0.00 +0.050 C ATOM 27 C LIG 1 -1.929 -2.388 1.086 0.00 0.00 +0.027 A ATOM 28 C LIG 1 -1.419 -1.549 0.088 0.00 0.00 +0.136 A ATOM 29 C LIG 1 -0.624 -2.061 -0.947 0.00 0.00 +0.047 A ATOM 30 C LIG 1 -0.287 -3.414 -0.964 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -0.750 -4.251 0.048 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -1.561 -3.735 1.058 0.00 0.00 +0.130 A ATOM 33 F LIG 1 -1.996 -4.569 2.013 0.00 0.00 -0.205 F ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 4