REMARK Name = BDB003309 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.610 -2.194 0.176 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.509 -1.465 -0.130 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 -0.692 -0.258 -0.713 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -1.988 0.274 -0.965 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -3.106 -0.527 -0.645 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -4.409 -0.054 -0.894 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -4.639 1.218 -1.439 0.00 0.00 -0.041 A ATOM 8 C LIG 1 -3.533 2.021 -1.732 0.00 0.00 +0.005 A ATOM 9 C LIG 1 -2.235 1.560 -1.498 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -2.907 -1.784 -0.073 0.00 0.00 +0.041 A ENDROOT BRANCH 3 11 ATOM 11 N LIG 1 0.474 0.470 -1.088 0.00 0.00 -0.284 N ATOM 12 C LIG 1 1.658 0.454 -0.305 0.00 0.00 +0.039 A ATOM 13 C LIG 1 2.927 0.210 -0.856 0.00 0.00 -0.025 A ATOM 14 C LIG 1 4.065 0.220 -0.033 0.00 0.00 +0.014 A ATOM 15 C LIG 1 3.970 0.457 1.347 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.710 0.711 1.914 0.00 0.00 +0.027 A ATOM 17 C LIG 1 3.093 -0.069 -2.325 0.00 0.00 +0.038 C ATOM 18 C LIG 1 1.786 -0.536 -2.939 0.00 0.00 +0.024 C ATOM 19 C LIG 1 1.574 0.693 1.079 0.00 0.00 +0.033 A ATOM 20 C LIG 1 0.680 0.435 -2.549 0.00 0.00 +0.113 C BRANCH 15 21 ATOM 21 C LIG 1 5.184 0.427 2.140 0.00 0.00 +0.020 A ATOM 22 C LIG 1 6.297 1.203 1.885 0.00 0.00 +0.116 A ATOM 23 N LIG 1 7.211 0.880 2.846 0.00 0.00 -0.274 N ATOM 24 C LIG 1 8.544 1.412 2.992 0.00 0.00 +0.172 C ATOM 25 N LIG 1 6.764 -0.036 3.723 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 5.535 -0.322 3.284 0.00 0.00 +0.142 A ENDBRANCH 15 21 BRANCH 16 27 ATOM 27 C LIG 1 2.526 0.994 3.384 0.00 0.00 +0.372 C ATOM 28 F LIG 1 1.330 1.588 3.671 0.00 0.00 -0.204 F ATOM 29 F LIG 1 2.558 -0.139 4.138 0.00 0.00 -0.204 F ENDBRANCH 16 27 ENDBRANCH 3 11 BRANCH 1 33 ATOM 30 C LIG 1 0.444 -4.933 1.787 0.00 0.00 +0.128 C ATOM 31 N LIG 1 -0.021 -3.778 1.068 0.00 0.00 -0.313 N ATOM 32 H LIG 1 0.624 -3.022 0.844 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -1.353 -3.520 0.826 0.00 0.00 +0.262 C ATOM 34 O LIG 1 -2.271 -4.280 1.113 0.00 0.00 -0.269 OA ENDBRANCH 1 33 BRANCH 7 35 ATOM 35 C LIG 1 -6.031 1.732 -1.715 0.00 0.00 +0.047 C ATOM 36 C LIG 1 -6.993 1.728 -0.532 0.00 0.00 +0.168 C ATOM 37 O LIG 1 -8.322 1.648 -1.075 0.00 0.00 -0.379 OA ATOM 38 C LIG 1 -8.226 1.389 -2.482 0.00 0.00 +0.160 C ATOM 39 C LIG 1 -6.808 0.932 -2.744 0.00 0.00 +0.038 C ENDBRANCH 7 35 TORSDOF 5