REMARK Name = BDB063025 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.535 0.420 -0.700 0.00 0.00 +0.124 A ATOM 2 N LIG 1 -1.284 1.720 -0.511 0.00 0.00 -0.211 NA ATOM 3 C LIG 1 0.004 2.114 -0.581 0.00 0.00 +0.182 A ATOM 4 N LIG 1 1.036 1.285 -0.826 0.00 0.00 -0.211 NA ATOM 5 C LIG 1 0.780 -0.016 -1.012 0.00 0.00 +0.127 A ATOM 6 C LIG 1 -0.522 -0.480 -0.972 0.00 0.00 +0.087 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 1.845 -0.908 -1.281 0.00 0.00 -0.314 N ATOM 8 C LIG 1 1.903 -2.030 -0.325 0.00 0.00 +0.111 C ATOM 9 C LIG 1 3.151 -2.902 -0.499 0.00 0.00 +0.054 C ATOM 10 C LIG 1 4.407 -2.386 0.175 0.00 0.00 -0.043 A ATOM 11 C LIG 1 4.765 -1.025 0.242 0.00 0.00 -0.043 A ATOM 12 C LIG 1 5.948 -0.666 0.921 0.00 0.00 +0.004 A ATOM 13 C LIG 1 6.786 -1.628 1.482 0.00 0.00 +0.000 A ATOM 14 C LIG 1 6.455 -2.971 1.379 0.00 0.00 +0.000 A ATOM 15 C LIG 1 3.939 0.111 -0.335 0.00 0.00 +0.054 C ATOM 16 C LIG 1 5.279 -3.345 0.730 0.00 0.00 +0.004 A ATOM 17 C LIG 1 3.123 -0.234 -1.585 0.00 0.00 +0.111 C ENDBRANCH 5 7 BRANCH 3 18 ATOM 18 C LIG 1 0.297 3.557 -0.370 0.00 0.00 +0.108 A ATOM 19 N LIG 1 1.606 3.947 -0.392 0.00 0.00 -0.252 NA ATOM 20 C LIG 1 1.888 5.254 -0.201 0.00 0.00 +0.111 A ATOM 21 C LIG 1 0.928 6.225 0.018 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -0.403 5.833 0.042 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -0.722 4.490 -0.153 0.00 0.00 +0.031 A ENDBRANCH 3 18 BRANCH 1 24 ATOM 24 N LIG 1 -2.861 -0.062 -0.692 0.00 0.00 -0.329 N ATOM 25 H LIG 1 -2.895 -0.883 -0.079 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.860 0.914 -0.257 0.00 0.00 +0.110 C BRANCH 26 27 ATOM 27 C LIG 1 -5.261 0.334 -0.422 0.00 0.00 +0.095 C BRANCH 27 28 ATOM 28 C LIG 1 -5.532 -0.826 0.519 0.00 0.00 +0.160 C ATOM 29 O LIG 1 -4.644 -1.329 1.209 0.00 0.00 -0.295 OA BRANCH 28 30 ATOM 30 C LIG 1 -6.977 -1.345 0.514 0.00 0.00 +0.233 C BRANCH 30 32 ATOM 31 C LIG 1 -6.803 -3.637 1.076 0.00 0.00 +0.194 C ATOM 32 O LIG 1 -7.297 -2.357 1.452 0.00 0.00 -0.376 OA ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8