REMARK Name = BDB019436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.387 -1.213 -0.381 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -2.199 -1.974 0.793 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -0.843 -1.991 1.363 0.00 0.00 +0.164 C ATOM 4 C LIG 1 -0.221 -3.238 0.764 0.00 0.00 +0.065 C ATOM 5 C LIG 1 -1.382 -4.230 0.872 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -2.647 -3.367 0.678 0.00 0.00 +0.140 C ATOM 7 O LIG 1 -1.436 -0.770 -1.025 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -0.113 -0.633 1.467 0.00 0.00 +0.234 C ATOM 9 N LIG 1 1.224 -0.515 1.230 0.00 0.00 -0.310 N ATOM 10 H LIG 1 1.489 0.441 1.431 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -0.696 0.370 1.895 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 1.874 -1.021 0.036 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 3.215 -0.358 -0.151 0.00 0.00 -0.030 A ATOM 14 C LIG 1 4.347 -0.840 0.509 0.00 0.00 +0.005 A ATOM 15 C LIG 1 5.577 -0.197 0.368 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.714 0.940 -0.440 0.00 0.00 -0.044 A ATOM 17 C LIG 1 4.566 1.432 -1.077 0.00 0.00 +0.004 A ATOM 18 C LIG 1 3.334 0.791 -0.937 0.00 0.00 +0.005 A BRANCH 16 19 ATOM 19 C LIG 1 7.053 1.641 -0.544 0.00 0.00 +0.019 C ATOM 20 C LIG 1 7.224 2.645 -1.692 0.00 0.00 +0.008 C ATOM 21 C LIG 1 8.721 2.899 -1.711 0.00 0.00 +0.001 C ATOM 22 C LIG 1 9.348 1.542 -1.422 0.00 0.00 +0.001 C ATOM 23 C LIG 1 8.248 0.697 -0.764 0.00 0.00 +0.008 C ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 24 ATOM 24 O LIG 1 -1.357 -4.864 2.147 0.00 0.00 -0.390 OA ATOM 25 H LIG 1 -1.763 -4.281 2.813 0.00 0.00 +0.210 HD ENDBRANCH 5 24 BRANCH 1 26 ATOM 26 C LIG 1 -3.874 -0.967 -0.770 0.00 0.00 +0.165 C BRANCH 26 27 ATOM 27 N LIG 1 -4.558 -0.103 0.194 0.00 0.00 -0.281 N ATOM 28 C LIG 1 -5.879 -0.268 0.573 0.00 0.00 +0.248 C ATOM 29 O LIG 1 -6.658 -1.133 0.229 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 -6.197 0.840 1.480 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -5.051 1.626 1.631 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -5.077 2.766 2.420 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -6.280 3.102 3.049 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.432 2.301 2.882 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.394 1.149 2.093 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -3.923 1.036 0.854 0.00 0.00 +0.144 C ENDBRANCH 26 27 BRANCH 26 38 ATOM 37 C LIG 1 -3.664 0.933 -2.527 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -4.027 -0.525 -2.250 0.00 0.00 +0.012 C ATOM 39 C LIG 1 -5.443 -0.798 -2.780 0.00 0.00 +0.009 C ENDBRANCH 26 38 ENDBRANCH 1 26 TORSDOF 8