REMARK Name = BDB037707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.139 -2.625 0.219 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.048 -1.553 0.234 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.669 -0.230 0.056 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.793 0.571 0.395 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.825 -0.236 0.684 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.719 0.155 -0.345 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.666 -0.839 0.355 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.429 -1.488 0.346 0.00 0.00 -0.244 N ATOM 9 C LIG 1 1.237 -2.306 0.108 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.103 -3.171 -0.084 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.860 2.051 0.462 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.054 2.677 0.806 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.329 2.094 1.102 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.359 3.195 1.089 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.640 4.473 0.740 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.454 2.057 0.111 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.133 4.146 0.882 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.874 2.744 0.199 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -2.615 4.647 2.174 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -2.244 5.060 3.194 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 7 21 ATOM 21 N LIG 1 3.076 -0.701 -0.014 0.00 0.00 -0.299 N ATOM 22 H LIG 1 3.466 -1.450 -0.573 0.00 0.00 +0.150 HD ATOM 23 C LIG 1 3.842 0.355 0.409 0.00 0.00 +0.245 C ATOM 24 O LIG 1 3.392 1.287 1.064 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 5.274 0.347 0.005 0.00 0.00 +0.037 A ATOM 26 C LIG 1 5.932 1.579 -0.121 0.00 0.00 +0.025 A ATOM 27 C LIG 1 7.283 1.637 -0.502 0.00 0.00 +0.056 A ATOM 28 C LIG 1 7.972 0.436 -0.731 0.00 0.00 +0.012 A ATOM 29 C LIG 1 7.326 -0.793 -0.591 0.00 0.00 +0.001 A ATOM 30 C LIG 1 5.980 -0.840 -0.221 0.00 0.00 +0.013 A BRANCH 27 31 ATOM 31 C LIG 1 7.986 2.966 -0.622 0.00 0.00 +0.417 C ATOM 32 F LIG 1 9.051 2.930 -1.472 0.00 0.00 -0.166 F ATOM 33 F LIG 1 7.177 3.958 -1.086 0.00 0.00 -0.166 F ATOM 34 F LIG 1 8.476 3.404 0.570 0.00 0.00 -0.166 F ENDBRANCH 27 31 ENDBRANCH 23 25 ENDBRANCH 7 21 BRANCH 8 35 ATOM 35 C LIG 1 -3.510 -2.437 -0.005 0.00 0.00 +0.057 C ATOM 36 C LIG 1 -3.789 -3.413 1.150 0.00 0.00 +0.036 C ATOM 37 C LIG 1 -3.233 -3.138 -1.353 0.00 0.00 +0.036 C ATOM 38 C LIG 1 -4.865 -1.690 -0.240 0.00 0.00 +0.036 C ENDBRANCH 8 35 BRANCH 6 39 ATOM 39 C LIG 1 0.899 0.140 -1.859 0.00 0.00 -0.001 C ATOM 40 C LIG 1 1.873 1.082 -2.525 0.00 0.00 +0.004 C ATOM 41 C LIG 1 0.397 1.287 -2.703 0.00 0.00 +0.004 C ENDBRANCH 6 39 BRANCH 1 43 ATOM 42 C LIG 1 -0.198 -4.332 2.000 0.00 0.00 +0.025 C ATOM 43 C LIG 1 -0.402 -4.026 0.521 0.00 0.00 +0.112 C ENDBRANCH 1 43 TORSDOF 8