REMARK Name = BDB038437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.387 0.765 -1.881 0.00 0.00 +0.047 A ATOM 2 N LIG 1 -2.116 0.727 -1.419 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -1.875 0.840 -0.102 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -2.927 0.962 0.803 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -4.256 0.967 0.348 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -4.474 0.888 -1.029 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.537 0.821 0.346 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.575 0.653 -0.481 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.680 0.471 -1.679 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.757 0.727 0.390 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.330 0.936 1.697 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.249 1.042 2.724 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.608 0.933 2.406 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.042 0.722 1.075 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.093 0.613 0.049 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.157 1.003 1.734 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.518 0.601 0.768 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.063 -0.624 1.342 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 5.606 -1.424 0.892 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.506 -0.777 1.107 0.00 0.00 +0.116 C BRANCH 20 21 ATOM 21 C LIG 1 7.842 -1.216 -0.333 0.00 0.00 +0.078 C ATOM 22 C LIG 1 8.078 -0.068 -1.359 0.00 0.00 +0.036 C ATOM 23 C LIG 1 9.306 -0.842 -1.871 0.00 0.00 +0.006 C ATOM 24 C LIG 1 9.345 -1.575 -0.519 0.00 0.00 +0.036 C BRANCH 21 25 ATOM 25 O LIG 1 6.904 -2.243 -0.753 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 7.174 -2.494 -1.653 0.00 0.00 +0.210 HD ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 27 ATOM 27 C LIG 1 -5.382 1.038 1.303 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -6.423 0.074 1.346 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -7.481 0.229 2.257 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -7.500 1.305 3.133 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -8.509 1.433 4.003 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -6.487 2.251 3.119 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -5.438 2.121 2.208 0.00 0.00 +0.012 A BRANCH 28 34 ATOM 34 C LIG 1 -6.482 -1.080 0.447 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -5.596 -2.128 0.388 0.00 0.00 -0.317 N ATOM 36 C LIG 1 -4.448 -2.385 1.213 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -6.035 -2.944 -0.612 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -7.138 -2.457 -1.123 0.00 0.00 -0.138 NA ATOM 39 N LIG 1 -7.428 -1.295 -0.449 0.00 0.00 -0.129 NA ENDBRANCH 28 34 ENDBRANCH 5 27 BRANCH 1 41 ATOM 40 C LIG 1 -2.729 1.605 -4.159 0.00 0.00 +0.014 C ATOM 41 C LIG 1 -3.596 0.617 -3.375 0.00 0.00 +0.032 C ATOM 42 C LIG 1 -3.311 -0.821 -3.809 0.00 0.00 +0.014 C ENDBRANCH 1 41 TORSDOF 9