REMARK Name = BDB035159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.559 -0.998 -0.059 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -4.684 -1.177 1.262 0.00 0.00 -0.145 NA ATOM 3 N LIG 1 -3.412 -1.059 1.707 0.00 0.00 -0.220 N ATOM 4 C LIG 1 -2.574 -0.780 0.628 0.00 0.00 +0.160 A ATOM 5 C LIG 1 -1.163 -0.596 0.864 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.740 -0.714 2.149 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -1.635 -1.009 3.257 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -2.942 -1.173 3.010 0.00 0.00 +0.115 A ATOM 9 N LIG 1 -3.279 -0.730 -0.481 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -6.487 -2.129 -1.136 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.673 -1.018 -0.981 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -5.984 0.086 -1.773 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -7.025 0.051 -2.647 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.743 -1.078 -2.708 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -7.528 -2.184 -1.993 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -5.189 1.381 -1.714 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -5.893 2.715 -1.815 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -5.307 2.284 -0.506 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -7.140 -4.311 -0.545 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -6.184 -3.266 -0.407 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 -0.235 -0.287 -0.304 0.00 0.00 +0.074 C BRANCH 21 22 ATOM 22 C LIG 1 1.228 -0.070 0.016 0.00 0.00 -0.043 A ATOM 23 C LIG 1 1.698 1.206 0.358 0.00 0.00 +0.004 A ATOM 24 C LIG 1 3.042 1.399 0.687 0.00 0.00 +0.012 A ATOM 25 C LIG 1 3.937 0.324 0.664 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.465 -0.954 0.351 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.122 -1.150 0.021 0.00 0.00 +0.004 A BRANCH 25 28 ATOM 28 C LIG 1 5.333 0.527 1.036 0.00 0.00 +0.142 A ATOM 29 N LIG 1 6.384 0.768 0.174 0.00 0.00 -0.327 N ATOM 30 C LIG 1 7.521 0.900 0.939 0.00 0.00 +0.120 A ATOM 31 C LIG 1 7.126 0.742 2.253 0.00 0.00 +0.162 A ATOM 32 N LIG 1 5.761 0.514 2.285 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 7.963 0.791 3.498 0.00 0.00 +0.436 C ATOM 34 F LIG 1 8.013 -0.408 4.135 0.00 0.00 -0.164 F ATOM 35 F LIG 1 7.508 1.703 4.397 0.00 0.00 -0.164 F ATOM 36 F LIG 1 9.254 1.134 3.225 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 6.389 0.881 -1.282 0.00 0.00 +0.083 C ATOM 38 C LIG 1 6.141 -0.454 -1.982 0.00 0.00 +0.030 C ATOM 39 C LIG 1 5.478 1.985 -1.818 0.00 0.00 +0.030 C ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 8