REMARK Name = BDB025971 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.771 -0.679 -1.030 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.158 -1.701 -1.768 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.908 -2.613 -2.408 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.229 -1.818 -1.877 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.078 -0.916 -1.232 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.473 0.153 -0.520 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.079 0.251 -0.407 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.477 -1.027 -1.263 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -4.125 -1.429 0.016 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.482 -2.943 0.096 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.247 -3.787 0.445 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.233 -3.388 -1.102 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.620 -4.794 -1.060 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.507 -3.066 -2.343 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -4.151 -1.568 -2.461 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.989 -0.360 -0.718 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.422 -1.573 -0.644 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.075 -1.650 -0.748 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.233 -0.570 -0.923 0.00 0.00 +0.021 A ATOM 20 C LIG 1 2.919 0.626 -0.988 0.00 0.00 +0.124 A ATOM 21 N LIG 1 4.262 0.755 -0.892 0.00 0.00 -0.222 NA BRANCH 16 28 ATOM 22 C LIG 1 9.015 2.376 0.124 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.418 0.996 -0.115 0.00 0.00 +0.133 C ATOM 24 O LIG 1 8.699 0.199 1.049 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 7.924 -1.014 1.135 0.00 0.00 +0.133 C ATOM 26 C LIG 1 7.009 -0.908 2.352 0.00 0.00 +0.039 C ATOM 27 C LIG 1 7.149 -1.382 -0.151 0.00 0.00 +0.139 C ATOM 28 N LIG 1 6.362 -0.251 -0.642 0.00 0.00 -0.295 N ATOM 29 C LIG 1 6.906 1.087 -0.400 0.00 0.00 +0.139 C ENDBRANCH 16 28 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -2.354 1.131 -0.007 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.320 0.966 -0.282 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.072 2.189 0.817 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.000 2.477 1.332 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.281 3.001 1.136 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -3.807 3.083 2.489 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -4.884 3.851 2.727 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -5.543 4.618 1.635 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -6.520 5.311 1.899 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.979 4.476 0.369 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -5.554 5.210 -0.749 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -3.861 3.690 0.141 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -3.130 2.277 3.560 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -3.186 0.950 3.259 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -3.768 2.407 4.757 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6