REMARK Name = BDB048305 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.462 3.220 -0.498 0.00 0.00 +0.174 C ATOM 2 C LIG 1 -1.445 2.863 -1.987 0.00 0.00 +0.052 C ENDROOT BRANCH 1 3 ATOM 3 O LIG 1 -1.731 2.062 0.306 0.00 0.00 -0.488 OA BRANCH 3 7 ATOM 4 C LIG 1 -5.737 0.892 0.279 0.00 0.00 -0.047 A ATOM 5 C LIG 1 -4.756 0.081 -0.314 0.00 0.00 +0.017 A ATOM 6 C LIG 1 -3.390 0.432 -0.311 0.00 0.00 +0.042 A ATOM 7 C LIG 1 -3.045 1.661 0.283 0.00 0.00 +0.130 A ATOM 8 C LIG 1 -4.007 2.459 0.911 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -5.347 2.078 0.906 0.00 0.00 +0.007 A BRANCH 6 10 ATOM 10 C LIG 1 -2.404 -0.477 -0.930 0.00 0.00 +0.074 A ATOM 11 N LIG 1 -2.778 -1.036 -2.113 0.00 0.00 -0.255 NA ATOM 12 C LIG 1 -1.904 -1.870 -2.719 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -0.660 -2.193 -2.206 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -0.290 -1.632 -0.994 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -1.172 -0.770 -0.345 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 4 17 ATOM 16 C LIG 1 -7.520 -0.407 1.473 0.00 0.00 +0.009 C ATOM 17 C LIG 1 -7.183 0.465 0.274 0.00 0.00 +0.032 C ENDBRANCH 4 17 ENDBRANCH 3 7 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 -0.120 3.830 -0.045 0.00 0.00 +0.085 C BRANCH 18 19 ATOM 19 C LIG 1 1.085 2.886 -0.120 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 1.038 1.969 0.972 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 1.970 0.971 0.999 0.00 0.00 +0.121 A ATOM 22 C LIG 1 2.999 0.776 0.078 0.00 0.00 +0.049 A ATOM 23 C LIG 1 3.888 -0.314 0.194 0.00 0.00 -0.041 A ATOM 24 C LIG 1 3.745 -1.208 1.275 0.00 0.00 -0.043 A ATOM 25 C LIG 1 2.709 -0.998 2.198 0.00 0.00 +0.007 A ATOM 26 C LIG 1 1.835 0.081 2.061 0.00 0.00 +0.046 A BRANCH 23 27 ATOM 27 C LIG 1 4.982 -0.448 -0.844 0.00 0.00 +0.032 C ATOM 28 C LIG 1 6.231 0.330 -0.457 0.00 0.00 +0.009 C ENDBRANCH 23 27 BRANCH 24 29 ATOM 29 C LIG 1 4.640 -2.412 1.471 0.00 0.00 +0.046 C BRANCH 29 30 ATOM 30 C LIG 1 4.080 -3.644 0.773 0.00 0.00 +0.125 C BRANCH 30 31 ATOM 31 C LIG 1 5.025 -4.792 0.945 0.00 0.00 +0.305 C ATOM 32 O LIG 1 6.067 -4.964 0.334 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 4.637 -5.654 1.902 0.00 0.00 -0.481 OA ATOM 34 H LIG 1 5.340 -6.337 1.913 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 24 29 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 13