REMARK Name = BDB024881 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.949 1.119 -2.232 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.247 0.021 -1.702 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.905 -1.302 -1.691 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.769 -1.476 -0.435 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.908 -2.440 -1.885 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.859 -2.418 -0.797 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.265 -1.047 -0.642 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.002 -0.918 -0.015 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.191 -1.905 0.478 0.00 0.00 -0.228 NA ATOM 10 C LIG 1 -0.893 -1.308 0.942 0.00 0.00 +0.152 A ATOM 11 N LIG 1 -0.781 0.068 0.809 0.00 0.00 -0.321 N ATOM 12 C LIG 1 0.418 0.326 0.164 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.043 1.490 -0.278 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.300 1.361 -0.889 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.939 0.124 -1.082 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.533 2.263 -2.373 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.738 1.082 1.259 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.144 2.033 2.316 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.172 3.048 2.850 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.287 3.382 1.852 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.808 3.257 0.413 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.401 1.822 0.080 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.782 2.616 4.164 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.962 3.332 5.135 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.188 1.334 4.178 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.585 1.222 5.069 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.986 1.861 -3.159 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.223 0.785 -2.611 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.057 -2.076 1.513 0.00 0.00 +0.236 C ATOM 30 C LIG 1 -2.039 -2.045 3.038 0.00 0.00 +0.060 C BRANCH 29 31 ATOM 31 O LIG 1 -3.299 -1.523 1.059 0.00 0.00 -0.481 OA BRANCH 31 32 ATOM 32 C LIG 1 -3.780 -1.901 -0.164 0.00 0.00 +0.122 A ATOM 33 C LIG 1 -3.073 -2.582 -1.155 0.00 0.00 +0.045 A ATOM 34 C LIG 1 -3.690 -2.887 -2.373 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.011 -2.511 -2.606 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.719 -1.825 -1.623 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -5.102 -1.519 -0.409 0.00 0.00 +0.045 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7