REMARK Name = BDB024295 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.340 -1.750 -0.140 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.081 -3.196 -0.544 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.478 -4.241 0.307 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.243 -5.572 -0.044 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.620 -5.875 -1.252 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.238 -4.851 -2.115 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.472 -3.519 -1.768 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.091 -0.852 -0.403 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.970 -1.177 0.429 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.884 -2.014 0.987 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.109 0.023 -1.267 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.201 -0.512 0.472 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.401 0.611 -0.233 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.613 1.213 -0.142 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.667 0.752 0.639 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.432 -0.413 1.369 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.191 -1.051 1.288 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.932 1.460 0.690 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.149 0.902 1.028 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.072 1.905 0.935 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.489 1.809 1.187 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.546 3.082 0.560 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.247 2.811 0.407 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.526 -1.235 -0.862 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.192 -0.931 -1.782 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.120 -0.078 -0.180 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -5.411 -0.440 -1.267 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.268 0.549 -1.008 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.772 1.822 -0.339 0.00 0.00 -0.041 A ATOM 30 C LIG 1 -4.490 3.069 -0.917 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -4.937 4.244 -0.314 0.00 0.00 +0.141 A ATOM 32 F LIG 1 -4.651 5.416 -0.900 0.00 0.00 -0.204 F ATOM 33 C LIG 1 -5.665 4.207 0.871 0.00 0.00 +0.087 A ATOM 34 C LIG 1 -5.946 2.971 1.461 0.00 0.00 +0.022 A ATOM 35 C LIG 1 -5.501 1.788 0.861 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.117 5.419 1.480 0.00 0.00 +0.102 C ATOM 37 N LIG 1 -6.501 6.381 2.003 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9