REMARK Name = BDB038649 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.775 -0.999 -0.254 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.417 -2.087 0.233 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.699 -2.333 -0.126 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.386 -1.453 -0.955 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.759 -0.296 -1.429 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.421 -0.087 -1.078 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.011 0.061 1.073 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.939 0.525 0.298 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.739 -0.158 0.386 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.476 0.108 -0.316 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.431 -0.844 0.128 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.166 -1.778 1.069 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.355 1.004 -1.130 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.561 -1.268 1.206 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.604 -1.738 1.982 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.830 -1.066 1.912 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.354 0.767 1.027 0.00 0.00 +0.119 C BRANCH 17 19 ATOM 18 C LIG 1 6.316 -0.507 -0.792 0.00 0.00 +0.105 C ATOM 19 N LIG 1 6.460 -0.119 0.617 0.00 0.00 -0.301 NA BRANCH 19 20 ATOM 20 C LIG 1 7.763 0.536 0.806 0.00 0.00 +0.088 C BRANCH 20 21 ATOM 21 C LIG 1 8.116 0.605 2.263 0.00 0.00 +0.003 C ATOM 22 C LIG 1 7.972 1.883 3.053 0.00 0.00 +0.005 C ATOM 23 C LIG 1 9.339 1.377 2.693 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 24 ATOM 24 C LIG 1 -4.489 0.659 -2.285 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -4.707 2.014 -1.938 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -5.365 2.869 -2.846 0.00 0.00 +0.031 A ATOM 27 C LIG 1 -5.830 2.397 -4.076 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -5.637 1.060 -4.414 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -4.971 0.205 -3.531 0.00 0.00 +0.010 A BRANCH 25 30 ATOM 30 C LIG 1 -4.254 2.617 -0.681 0.00 0.00 +0.164 A ATOM 31 N LIG 1 -4.614 2.258 0.596 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -5.552 1.256 1.022 0.00 0.00 +0.152 C ATOM 33 C LIG 1 -3.960 3.111 1.433 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -3.278 3.980 0.730 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 -3.473 3.680 -0.596 0.00 0.00 -0.129 NA ENDBRANCH 25 30 BRANCH 27 36 ATOM 36 C LIG 1 -6.504 3.280 -4.982 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -7.065 3.982 -5.717 0.00 0.00 -0.191 NA ENDBRANCH 27 36 ENDBRANCH 5 24 BRANCH 3 38 ATOM 38 C LIG 1 -4.375 -3.570 0.414 0.00 0.00 +0.038 C ATOM 39 C LIG 1 -4.767 -4.689 -0.525 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -3.634 -4.887 0.436 0.00 0.00 +0.010 C ENDBRANCH 3 38 TORSDOF 9