REMARK Name = BDB024396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.368 0.804 -0.507 0.00 0.00 +0.173 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.306 -0.690 -0.255 0.00 0.00 -0.001 A ATOM 3 C LIG 1 0.594 -1.277 0.984 0.00 0.00 +0.047 A ATOM 4 C LIG 1 0.512 -2.656 1.119 0.00 0.00 +0.142 A ATOM 5 F LIG 1 0.778 -3.233 2.297 0.00 0.00 -0.204 F ATOM 6 C LIG 1 0.154 -3.421 0.024 0.00 0.00 +0.149 A ATOM 7 N LIG 1 -0.122 -2.900 -1.193 0.00 0.00 -0.260 NA ATOM 8 C LIG 1 -0.032 -1.551 -1.303 0.00 0.00 +0.116 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 9 C LIG 1 0.046 1.689 0.734 0.00 0.00 +0.240 C ATOM 10 N LIG 1 -1.203 1.755 1.282 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -1.231 2.347 2.101 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 0.913 2.391 1.275 0.00 0.00 -0.273 OA BRANCH 10 13 ATOM 13 C LIG 1 -2.400 1.171 0.872 0.00 0.00 +0.125 A ATOM 14 N LIG 1 -2.460 0.450 -0.256 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -3.651 -0.111 -0.590 0.00 0.00 +0.121 A ATOM 16 C LIG 1 -4.822 0.026 0.146 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -4.738 0.797 1.305 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -3.519 1.375 1.671 0.00 0.00 +0.044 A BRANCH 16 19 ATOM 19 C LIG 1 -6.055 -0.611 -0.276 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -7.328 -0.192 0.056 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -8.190 -1.056 -0.556 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -9.632 -1.026 -0.509 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -7.572 -2.013 -1.268 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -6.276 -1.743 -1.098 0.00 0.00 +0.143 A ENDBRANCH 16 19 ENDBRANCH 10 13 ENDBRANCH 1 9 BRANCH 1 25 ATOM 25 N LIG 1 1.656 1.236 -1.140 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 1.656 2.257 -1.106 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 2.868 0.750 -0.462 0.00 0.00 +0.089 C BRANCH 27 29 ATOM 28 C LIG 1 4.233 2.894 -0.852 0.00 0.00 +0.014 C ATOM 29 C LIG 1 4.162 1.374 -1.046 0.00 0.00 +0.030 C BRANCH 29 30 ATOM 30 C LIG 1 5.391 0.693 -0.453 0.00 0.00 -0.043 A ATOM 31 C LIG 1 5.733 0.839 0.900 0.00 0.00 +0.005 A ATOM 32 C LIG 1 6.859 0.199 1.425 0.00 0.00 +0.019 A ATOM 33 C LIG 1 7.658 -0.601 0.603 0.00 0.00 +0.052 A ATOM 34 C LIG 1 7.324 -0.757 -0.745 0.00 0.00 +0.019 A ATOM 35 C LIG 1 6.198 -0.116 -1.268 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 8.813 -1.257 1.141 0.00 0.00 +0.099 C ATOM 37 N LIG 1 9.748 -1.788 1.577 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9