REMARK Name = BDB016689 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.277 1.185 -1.013 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.789 1.673 -2.239 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.433 1.500 -2.542 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.528 0.888 -1.683 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.275 0.938 -2.373 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.410 1.499 -3.584 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -2.013 0.394 -0.457 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.706 1.835 -3.648 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.041 2.288 -4.490 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.371 0.557 -0.141 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 -5.573 -1.646 -1.664 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -6.263 -1.255 -0.737 0.00 0.00 +0.228 C ATOM 13 C LIG 1 -6.655 0.179 -0.458 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.723 1.364 -0.610 0.00 0.00 +0.040 C ATOM 15 C LIG 1 -6.855 1.143 -1.592 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -7.588 0.080 0.715 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -7.667 -1.271 1.087 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -8.437 -1.726 2.137 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -9.165 -0.774 2.851 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -9.106 0.587 2.500 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -8.316 1.020 1.428 0.00 0.00 +0.006 A ATOM 22 N LIG 1 -6.873 -2.036 0.231 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -6.780 -3.039 0.254 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 0.996 0.450 -1.925 0.00 0.00 +0.031 C ATOM 25 C LIG 1 1.429 0.389 -0.654 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 2.757 -0.105 -0.263 0.00 0.00 -0.025 A ATOM 27 C LIG 1 3.350 -1.216 -0.874 0.00 0.00 +0.008 A ATOM 28 C LIG 1 4.603 -1.677 -0.454 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.282 -1.040 0.592 0.00 0.00 -0.033 A ATOM 30 C LIG 1 4.678 0.060 1.216 0.00 0.00 +0.005 A ATOM 31 C LIG 1 3.427 0.520 0.795 0.00 0.00 +0.008 A BRANCH 29 32 ATOM 32 C LIG 1 6.633 -1.543 1.057 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 7.682 -0.521 0.987 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 8.942 -0.992 1.562 0.00 0.00 +0.085 C ATOM 35 C LIG 1 9.946 0.037 1.068 0.00 0.00 +0.017 C ATOM 36 C LIG 1 9.354 0.578 -0.228 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.017 -0.134 -0.385 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5