REMARK Name = BDB051782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.994 1.100 0.134 0.00 0.00 +0.236 C ATOM 2 N LIG 1 -2.774 1.153 -0.527 0.00 0.00 -0.297 N ATOM 3 C LIG 1 -2.330 0.319 -1.654 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -0.807 0.331 -1.889 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -0.041 0.300 -0.645 0.00 0.00 -0.294 N ATOM 6 C LIG 1 1.184 -0.357 -0.635 0.00 0.00 +0.249 C ATOM 7 O LIG 1 1.675 -0.898 -1.623 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.505 1.191 0.432 0.00 0.00 +0.127 C ATOM 9 C LIG 1 -1.727 2.026 0.022 0.00 0.00 +0.127 C ATOM 10 O LIG 1 -4.172 1.830 1.125 0.00 0.00 -0.274 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.968 -0.385 0.610 0.00 0.00 +0.072 A ATOM 12 C LIG 1 1.503 -1.071 1.727 0.00 0.00 +0.135 A ATOM 13 F LIG 1 0.318 -1.698 1.708 0.00 0.00 -0.205 F ATOM 14 C LIG 1 2.264 -1.113 2.890 0.00 0.00 +0.039 A ATOM 15 C LIG 1 3.510 -0.482 2.928 0.00 0.00 +0.007 A ATOM 16 C LIG 1 4.013 0.181 1.796 0.00 0.00 -0.041 A ATOM 17 C LIG 1 3.223 0.234 0.636 0.00 0.00 +0.020 A BRANCH 16 18 ATOM 18 C LIG 1 5.360 0.867 1.861 0.00 0.00 +0.092 C BRANCH 18 19 ATOM 19 C LIG 1 6.223 0.676 0.615 0.00 0.00 +0.069 A ATOM 20 C LIG 1 6.861 -0.659 0.340 0.00 0.00 -0.019 A ATOM 21 C LIG 1 6.687 -1.762 1.341 0.00 0.00 +0.046 C ATOM 22 C LIG 1 7.564 -0.761 -0.805 0.00 0.00 +0.020 A ATOM 23 C LIG 1 8.245 -1.994 -1.326 0.00 0.00 +0.050 C ATOM 24 C LIG 1 7.708 0.429 -1.692 0.00 0.00 +0.268 A ATOM 25 O LIG 1 8.364 0.389 -2.729 0.00 0.00 -0.266 OA ATOM 26 N LIG 1 7.080 1.571 -1.283 0.00 0.00 -0.243 N ATOM 27 H LIG 1 7.168 2.386 -1.881 0.00 0.00 +0.192 HD ATOM 28 N LIG 1 6.338 1.714 -0.158 0.00 0.00 -0.175 NA ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 6 11 BRANCH 1 29 ATOM 29 C LIG 1 -5.141 0.087 -0.257 0.00 0.00 +0.096 C ATOM 30 C LIG 1 -5.555 -0.000 -1.736 0.00 0.00 +0.031 C ATOM 31 C LIG 1 -6.138 -1.400 -1.874 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -5.176 -2.253 -1.065 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -4.721 -1.367 0.098 0.00 0.00 +0.031 C BRANCH 29 34 ATOM 34 N LIG 1 -6.333 0.358 0.624 0.00 0.00 -0.303 NA ATOM 35 H LIG 1 -5.947 0.529 1.560 0.00 0.00 +0.123 HD BRANCH 34 37 ATOM 36 C LIG 1 -8.029 1.931 1.412 0.00 0.00 +0.020 C ATOM 37 C LIG 1 -7.116 1.541 0.257 0.00 0.00 +0.078 C ENDBRANCH 34 37 ENDBRANCH 29 34 ENDBRANCH 1 29 TORSDOF 6