REMARK Name = BDB035465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.551 -0.162 0.673 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.568 -0.544 1.420 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.702 -0.766 2.610 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.691 -0.664 0.482 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.003 -1.010 0.747 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.900 -1.055 -0.329 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.443 -0.738 -1.631 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.103 -0.387 -1.884 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.236 -0.358 -0.795 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.220 -0.026 -0.741 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.223 0.680 0.758 0.00 0.00 -0.035 A ATOM 12 C LIG 1 2.905 0.440 0.303 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.860 0.079 1.172 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.164 -0.034 2.531 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.458 0.201 3.005 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.481 0.553 2.127 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.281 1.038 -0.283 0.00 0.00 +0.091 C BRANCH 17 20 ATOM 18 C LIG 1 6.006 -2.011 0.396 0.00 0.00 +0.151 C ATOM 19 N LIG 1 5.917 -1.392 -0.899 0.00 0.00 -0.320 N ATOM 20 C LIG 1 5.604 -0.094 -1.221 0.00 0.00 +0.141 A ATOM 21 N LIG 1 5.638 0.024 -2.536 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 5.968 -1.192 -3.074 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 6.130 -2.033 -2.083 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 6.567 1.636 0.303 0.00 0.00 +0.018 C ATOM 25 C LIG 1 6.437 3.036 0.994 0.00 0.00 +0.079 C ATOM 26 C LIG 1 7.742 3.416 0.268 0.00 0.00 +0.134 C ATOM 27 O LIG 1 8.587 4.265 0.442 0.00 0.00 -0.297 OA ATOM 28 C LIG 1 7.559 2.262 -0.739 0.00 0.00 +0.079 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.620 -0.049 -3.268 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.580 -0.139 -4.227 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.126 1.218 -3.344 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.607 -0.865 -3.670 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.354 -1.409 -0.102 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -6.190 -0.214 -0.231 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -5.792 0.517 0.358 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.610 -0.495 0.042 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.838 -0.666 1.571 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -9.014 0.324 1.445 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -8.332 0.880 0.177 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.266 -1.472 -0.916 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8