REMARK Name = BDB063207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.941 0.476 -0.494 0.00 0.00 +0.117 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.269 0.871 0.144 0.00 0.00 -0.026 A ATOM 3 C LIG 1 -3.549 0.653 1.501 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -4.785 1.017 2.046 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -5.769 1.610 1.248 0.00 0.00 -0.050 A ATOM 6 C LIG 1 -7.105 1.973 1.823 0.00 0.00 +0.044 C ATOM 7 C LIG 1 -5.504 1.812 -0.111 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -4.269 1.449 -0.656 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 9 N LIG 1 -0.825 0.652 0.423 0.00 0.00 -0.307 N ATOM 10 H LIG 1 -0.646 -0.088 1.093 0.00 0.00 +0.149 HD ATOM 11 C LIG 1 -0.057 1.792 0.466 0.00 0.00 +0.218 C ATOM 12 O LIG 1 -0.218 2.752 -0.283 0.00 0.00 -0.275 OA BRANCH 11 13 ATOM 13 C LIG 1 1.027 1.762 1.528 0.00 0.00 +0.130 C BRANCH 13 14 ATOM 14 C LIG 1 2.115 0.764 1.215 0.00 0.00 -0.038 A ATOM 15 C LIG 1 3.027 1.021 0.181 0.00 0.00 +0.008 A ATOM 16 C LIG 1 4.040 0.103 -0.134 0.00 0.00 -0.044 A ATOM 17 C LIG 1 4.987 0.420 -1.266 0.00 0.00 +0.035 C ATOM 18 C LIG 1 6.251 -0.439 -1.248 0.00 0.00 +0.005 C ATOM 19 C LIG 1 5.889 -1.908 -1.061 0.00 0.00 +0.005 C ATOM 20 C LIG 1 5.203 -2.122 0.288 0.00 0.00 +0.035 C ATOM 21 C LIG 1 4.118 -1.111 0.574 0.00 0.00 -0.044 A ATOM 22 C LIG 1 3.207 -1.364 1.608 0.00 0.00 +0.004 A ATOM 23 C LIG 1 2.214 -0.436 1.927 0.00 0.00 +0.004 A ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 9 BRANCH 1 24 ATOM 24 C LIG 1 -1.984 -0.946 -1.102 0.00 0.00 +0.122 C BRANCH 24 26 ATOM 25 C LIG 1 -0.428 -0.478 -3.088 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -0.708 -1.346 -1.868 0.00 0.00 +0.013 C ENDBRANCH 24 26 BRANCH 24 27 ATOM 27 C LIG 1 -2.212 -1.977 -0.021 0.00 0.00 +0.310 C ATOM 28 O LIG 1 -1.617 -2.058 1.044 0.00 0.00 -0.251 OA BRANCH 27 29 ATOM 29 O LIG 1 -3.156 -2.880 -0.350 0.00 0.00 -0.480 OA ATOM 30 H LIG 1 -3.214 -3.474 0.427 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 24 27 ENDBRANCH 1 24 TORSDOF 8