REMARK Name = BDB051949 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.195 -2.221 0.436 0.00 0.00 +0.055 A ATOM 2 C LIG 1 -2.422 -1.508 0.486 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -3.615 -2.224 0.608 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -3.598 -3.622 0.636 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -2.384 -4.319 0.565 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -1.178 -3.615 0.469 0.00 0.00 +0.040 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 1.279 -1.767 0.276 0.00 0.00 +0.250 C ATOM 8 N LIG 1 -0.049 -1.408 0.320 0.00 0.00 -0.280 N ATOM 9 H LIG 1 -0.294 -0.427 0.256 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 1.694 -2.916 0.377 0.00 0.00 -0.270 OA BRANCH 7 19 ATOM 11 C LIG 1 1.739 3.534 -0.665 0.00 0.00 +0.113 C ATOM 12 C LIG 1 3.068 2.864 -0.475 0.00 0.00 +0.229 C ATOM 13 N LIG 1 3.022 1.470 -0.230 0.00 0.00 -0.287 N ATOM 14 C LIG 1 4.117 0.628 -0.021 0.00 0.00 +0.057 A ATOM 15 C LIG 1 3.631 -0.669 0.188 0.00 0.00 +0.012 A ATOM 16 C LIG 1 4.561 -1.709 0.423 0.00 0.00 +0.011 A ATOM 17 C LIG 1 5.931 -1.440 0.444 0.00 0.00 +0.001 A ATOM 18 C LIG 1 6.393 -0.149 0.235 0.00 0.00 +0.002 A ATOM 19 C LIG 1 2.202 -0.630 0.113 0.00 0.00 +0.063 A ATOM 20 C LIG 1 5.500 0.899 0.001 0.00 0.00 +0.027 A ATOM 21 C LIG 1 1.875 0.690 -0.154 0.00 0.00 +0.108 A ATOM 22 O LIG 1 4.138 3.460 -0.522 0.00 0.00 -0.273 OA ENDBRANCH 7 19 ENDBRANCH 1 8 BRANCH 2 23 ATOM 23 N LIG 1 -2.344 -0.096 0.551 0.00 0.00 -0.338 N ATOM 24 H LIG 1 -2.133 0.161 1.518 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.490 0.676 0.083 0.00 0.00 +0.137 C BRANCH 25 26 ATOM 26 C LIG 1 -3.042 2.109 -0.083 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -2.427 2.523 -1.275 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -1.989 3.840 -1.427 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -2.149 4.752 -0.385 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -2.745 4.348 0.809 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.188 3.033 0.962 0.00 0.00 +0.005 A ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 2 23 BRANCH 5 32 ATOM 32 C LIG 1 -2.335 -5.802 0.594 0.00 0.00 +0.337 C ATOM 33 O LIG 1 -1.335 -6.492 0.535 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 -3.555 -6.360 0.698 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 -3.364 -7.322 0.704 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 5 32 TORSDOF 7