REMARK Name = BDB037788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.286 -1.846 -0.751 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.297 -0.572 -0.766 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.025 0.426 0.145 0.00 0.00 +0.026 A ATOM 4 C LIG 1 -0.523 1.613 -0.436 0.00 0.00 +0.078 A ATOM 5 N LIG 1 -1.145 1.355 -1.595 0.00 0.00 -0.169 NA ATOM 6 C LIG 1 0.733 0.185 1.394 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.724 -0.976 1.201 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.225 -0.007 -1.640 0.00 0.00 -0.218 N ATOM 9 C LIG 1 1.286 -2.091 0.211 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.940 -3.144 0.203 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.347 -0.043 2.452 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.037 -1.262 2.598 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.033 -1.406 3.568 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.350 -0.338 4.396 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -3.311 -0.480 5.319 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -1.686 0.873 4.278 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.687 1.020 3.313 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.299 -0.590 -2.363 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.825 0.080 -3.477 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.911 -0.461 -4.167 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.487 -1.655 -3.737 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.990 -2.304 -2.608 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.904 -1.768 -1.913 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 3.045 -0.537 0.717 0.00 0.00 -0.297 N ATOM 25 H LIG 1 3.495 -1.085 -0.016 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.907 0.198 1.518 0.00 0.00 +0.282 C ATOM 27 O LIG 1 3.549 0.703 2.576 0.00 0.00 -0.267 OA BRANCH 26 28 ATOM 28 C LIG 1 5.319 0.314 0.984 0.00 0.00 +0.216 A ATOM 29 N LIG 1 5.575 -0.333 -0.176 0.00 0.00 -0.219 NA ATOM 30 C LIG 1 6.844 -0.234 -0.654 0.00 0.00 +0.147 A ATOM 31 C LIG 1 7.818 0.501 0.007 0.00 0.00 +0.052 A ATOM 32 C LIG 1 7.441 1.116 1.179 0.00 0.00 +0.115 A ATOM 33 N LIG 1 6.203 1.040 1.690 0.00 0.00 -0.232 NA BRANCH 30 34 ATOM 34 C LIG 1 7.203 -0.915 -1.968 0.00 0.00 +0.434 C ATOM 35 F LIG 1 6.325 -1.887 -2.342 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.429 -1.514 -1.928 0.00 0.00 -0.164 F ATOM 37 F LIG 1 7.258 -0.035 -3.008 0.00 0.00 -0.164 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -0.387 -4.162 -1.442 0.00 0.00 +0.025 C ATOM 39 C LIG 1 0.199 -2.815 -1.851 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -0.442 3.018 0.059 0.00 0.00 +0.153 C BRANCH 40 41 ATOM 41 C LIG 1 -1.761 3.454 0.675 0.00 0.00 +0.220 C ATOM 42 N LIG 1 -2.851 3.337 -0.159 0.00 0.00 -0.300 N ATOM 43 H LIG 1 -2.717 2.784 -1.007 0.00 0.00 +0.150 HD ATOM 44 O LIG 1 -1.838 3.908 1.814 0.00 0.00 -0.275 OA BRANCH 42 45 ATOM 45 C LIG 1 -4.209 3.529 0.329 0.00 0.00 +0.173 C ATOM 46 C LIG 1 -4.671 2.306 1.121 0.00 0.00 +0.044 C BRANCH 45 47 ATOM 47 C LIG 1 -5.135 3.785 -0.794 0.00 0.00 +0.085 C ATOM 48 N LIG 1 -5.856 3.973 -1.685 0.00 0.00 -0.195 NA ENDBRANCH 45 47 ENDBRANCH 42 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10