REMARK Name = BDB003714 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.516 -2.205 2.146 0.00 0.00 -0.292 N ATOM 2 C LIG 1 1.224 -1.113 1.651 0.00 0.00 +0.247 C ATOM 3 O LIG 1 0.893 0.046 1.898 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.504 -3.525 1.526 0.00 0.00 +0.133 C ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 2.408 -1.341 0.793 0.00 0.00 +0.037 A ATOM 6 C LIG 1 3.436 -2.194 1.208 0.00 0.00 +0.013 A ATOM 7 C LIG 1 4.559 -2.372 0.397 0.00 0.00 +0.008 A ATOM 8 C LIG 1 4.676 -1.684 -0.822 0.00 0.00 -0.010 A ATOM 9 C LIG 1 3.637 -0.829 -1.222 0.00 0.00 +0.008 A ATOM 10 C LIG 1 2.514 -0.645 -0.412 0.00 0.00 +0.013 A BRANCH 8 11 ATOM 11 C LIG 1 5.890 -1.915 -1.697 0.00 0.00 +0.264 C BRANCH 11 12 ATOM 12 O LIG 1 6.185 -0.819 -2.567 0.00 0.00 -0.487 OA BRANCH 12 13 ATOM 13 C LIG 1 6.999 0.175 -2.099 0.00 0.00 +0.121 A ATOM 14 C LIG 1 7.327 0.409 -0.763 0.00 0.00 +0.045 A ATOM 15 C LIG 1 8.164 1.476 -0.422 0.00 0.00 +0.004 A ATOM 16 C LIG 1 8.672 2.315 -1.412 0.00 0.00 +0.000 A ATOM 17 C LIG 1 8.339 2.093 -2.745 0.00 0.00 +0.004 A ATOM 18 C LIG 1 7.502 1.029 -3.085 0.00 0.00 +0.045 A ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 19 ATOM 19 C LIG 1 -0.524 -1.952 3.147 0.00 0.00 +0.203 C BRANCH 19 22 ATOM 20 N LIG 1 -1.850 -0.356 1.884 0.00 0.00 -0.284 N ATOM 21 H LIG 1 -0.940 0.112 1.881 0.00 0.00 +0.155 HD ATOM 22 C LIG 1 -1.875 -1.588 2.514 0.00 0.00 +0.235 C ATOM 23 O LIG 1 -2.834 -2.350 2.603 0.00 0.00 -0.274 OA BRANCH 20 27 ATOM 24 C LIG 1 -4.861 1.757 -0.186 0.00 0.00 +0.162 A ATOM 25 C LIG 1 -5.181 0.520 0.409 0.00 0.00 +0.164 A ATOM 26 C LIG 1 -4.194 -0.197 1.101 0.00 0.00 +0.072 A ATOM 27 C LIG 1 -2.894 0.301 1.207 0.00 0.00 +0.037 A ATOM 28 C LIG 1 -2.586 1.529 0.615 0.00 0.00 +0.027 A ATOM 29 C LIG 1 -3.561 2.253 -0.077 0.00 0.00 +0.051 A BRANCH 24 30 ATOM 30 O LIG 1 -5.884 2.394 -0.843 0.00 0.00 -0.489 OA BRANCH 30 32 ATOM 31 C LIG 1 -6.870 4.126 -2.145 0.00 0.00 +0.048 C ATOM 32 C LIG 1 -5.596 3.635 -1.481 0.00 0.00 +0.226 C ENDBRANCH 30 32 ENDBRANCH 24 30 BRANCH 25 33 ATOM 33 O LIG 1 -6.482 0.102 0.259 0.00 0.00 -0.489 OA BRANCH 33 34 ATOM 34 C LIG 1 -6.843 -1.160 0.815 0.00 0.00 +0.226 C ATOM 35 C LIG 1 -8.308 -1.406 0.498 0.00 0.00 +0.048 C ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 20 27 ENDBRANCH 19 22 ENDBRANCH 1 19 TORSDOF 11