REMARK Name = BDB022754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.741 3.342 -0.981 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.610 2.324 -0.489 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.978 1.145 -0.843 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.184 1.496 -1.467 0.00 0.00 -0.266 N ATOM 5 N LIG 1 -0.344 2.826 -1.587 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 2.862 2.489 0.235 0.00 0.00 +0.248 C ATOM 7 N LIG 1 3.640 1.363 0.309 0.00 0.00 -0.306 N ATOM 8 H LIG 1 3.403 0.523 -0.202 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 3.198 3.551 0.748 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 4.938 1.375 0.946 0.00 0.00 +0.163 C BRANCH 10 11 ATOM 11 C LIG 1 5.612 0.027 0.859 0.00 0.00 +0.094 A ATOM 12 C LIG 1 6.824 -0.170 1.508 0.00 0.00 +0.146 A ATOM 13 F LIG 1 7.394 0.815 2.216 0.00 0.00 -0.204 F ATOM 14 C LIG 1 7.451 -1.403 1.417 0.00 0.00 +0.042 A ATOM 15 C LIG 1 6.849 -2.414 0.673 0.00 0.00 +0.026 A ATOM 16 C LIG 1 5.634 -2.155 0.041 0.00 0.00 +0.039 A ATOM 17 C LIG 1 4.970 -3.223 -0.776 0.00 0.00 +0.065 C ATOM 18 N LIG 1 5.008 -0.954 0.121 0.00 0.00 -0.252 NA ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 19 ATOM 19 C LIG 1 0.929 4.829 -0.918 0.00 0.00 +0.217 C BRANCH 19 21 ATOM 20 C LIG 1 1.256 5.347 -3.212 0.00 0.00 +0.194 C ATOM 21 O LIG 1 1.834 5.331 -1.914 0.00 0.00 -0.377 OA ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 4 22 ATOM 22 C LIG 1 -1.180 0.589 -2.027 0.00 0.00 +0.178 C BRANCH 22 23 ATOM 23 C LIG 1 -1.957 -0.125 -0.949 0.00 0.00 -0.026 A ATOM 24 C LIG 1 -1.798 -1.502 -0.742 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -2.518 -2.157 0.261 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -3.411 -1.449 1.076 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -3.575 -0.073 0.864 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -2.855 0.582 -0.136 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 -4.199 -2.153 2.158 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 N LIG 1 -5.597 -2.362 1.791 0.00 0.00 -0.311 N ATOM 31 C LIG 1 -6.557 -1.483 2.293 0.00 0.00 +0.252 A ATOM 32 O LIG 1 -6.325 -0.539 3.045 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 -7.961 -1.741 1.870 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -8.244 -2.759 1.049 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -7.196 -3.618 0.563 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -5.929 -3.402 0.936 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 9