REMARK Name = BDB039498 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.874 1.022 0.418 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -1.639 1.916 -0.248 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -2.966 1.705 -0.154 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -3.606 0.680 0.533 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -5.003 0.840 0.307 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -5.178 1.943 -0.503 0.00 0.00 +0.089 A ATOM 7 C LIG 1 -2.805 -0.241 1.238 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -3.939 2.484 -0.727 0.00 0.00 -0.324 N ATOM 9 C LIG 1 -1.413 -0.034 1.163 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.177 0.434 0.146 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.788 1.760 0.054 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.498 2.742 -0.054 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.324 1.776 0.118 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.880 0.469 0.287 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.522 0.194 0.380 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.590 1.255 0.313 0.00 0.00 +0.001 A ATOM 17 C LIG 1 1.091 2.574 0.132 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.460 2.846 0.032 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.045 -0.461 0.359 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 6.884 -3.158 -2.385 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 6.948 -2.185 -1.640 0.00 0.00 +0.219 C ATOM 22 N LIG 1 7.046 -2.354 -0.281 0.00 0.00 -0.255 N ATOM 23 H LIG 1 7.070 -3.315 0.033 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.765 -1.426 0.691 0.00 0.00 +0.240 C ATOM 25 O LIG 1 6.535 -1.792 1.844 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.580 0.023 0.222 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.322 0.233 -1.101 0.00 0.00 +0.041 C ATOM 28 C LIG 1 6.849 -0.767 -2.145 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -3.672 3.651 -1.582 0.00 0.00 +0.140 C ATOM 30 C LIG 1 -2.674 4.652 -0.985 0.00 0.00 +0.187 C ATOM 31 O LIG 1 -3.586 5.755 -1.244 0.00 0.00 -0.376 OA ATOM 32 C LIG 1 -4.669 4.804 -1.422 0.00 0.00 +0.187 C ENDBRANCH 8 29 BRANCH 7 33 ATOM 33 C LIG 1 -3.363 -1.403 2.026 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -3.981 -2.417 1.170 0.00 0.00 -0.296 NA ATOM 35 C LIG 1 -4.628 -3.482 1.950 0.00 0.00 +0.116 C ATOM 36 C LIG 1 -4.940 -4.496 0.854 0.00 0.00 +0.130 C ATOM 37 C LIG 1 -3.726 -4.428 -0.067 0.00 0.00 +0.048 C ATOM 38 C LIG 1 -3.032 -3.112 0.294 0.00 0.00 +0.087 C BRANCH 36 39 ATOM 39 O LIG 1 -6.101 -4.083 0.130 0.00 0.00 -0.390 OA ATOM 40 H LIG 1 -5.946 -3.144 -0.089 0.00 0.00 +0.210 HD ENDBRANCH 36 39 ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 6