REMARK Name = BDB053759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.050 0.088 -0.643 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -1.594 1.178 0.039 0.00 0.00 -0.278 N ATOM 3 C LIG 1 -1.407 2.329 -0.719 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.698 1.967 -1.860 0.00 0.00 +0.105 A ATOM 5 N LIG 1 -0.320 2.858 -2.810 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.712 4.130 -2.597 0.00 0.00 +0.111 A ATOM 7 C LIG 1 -1.433 4.574 -1.501 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -1.800 3.661 -0.518 0.00 0.00 +0.030 A ATOM 9 C LIG 1 -0.426 0.584 -1.783 0.00 0.00 +0.125 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 0.291 -0.218 -2.746 0.00 0.00 +0.254 C ATOM 11 N LIG 1 1.551 -0.716 -2.407 0.00 0.00 -0.292 N ATOM 12 C LIG 1 2.425 -0.393 -1.252 0.00 0.00 +0.094 C ATOM 13 C LIG 1 2.325 -1.520 -0.189 0.00 0.00 +0.103 C ATOM 14 N LIG 1 2.027 -2.864 -0.746 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 1.008 -2.931 -0.824 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 2.570 -2.979 -2.116 0.00 0.00 +0.100 C ATOM 17 C LIG 1 1.961 -1.946 -3.099 0.00 0.00 +0.123 C ATOM 18 O LIG 1 -0.245 -0.505 -3.816 0.00 0.00 -0.270 OA BRANCH 12 19 ATOM 19 C LIG 1 2.355 1.026 -0.657 0.00 0.00 +0.059 C BRANCH 19 20 ATOM 20 C LIG 1 3.571 1.384 0.170 0.00 0.00 -0.046 A ATOM 21 C LIG 1 4.744 1.832 -0.454 0.00 0.00 +0.004 A ATOM 22 C LIG 1 5.871 2.147 0.305 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.838 2.017 1.692 0.00 0.00 +0.000 A ATOM 24 C LIG 1 4.677 1.573 2.322 0.00 0.00 +0.000 A ATOM 25 C LIG 1 3.547 1.258 1.566 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 12 19 ENDBRANCH 9 10 BRANCH 2 26 ATOM 26 C LIG 1 -2.112 1.195 1.357 0.00 0.00 +0.050 A ATOM 27 C LIG 1 -3.322 0.566 1.648 0.00 0.00 +0.026 A ATOM 28 C LIG 1 -3.828 0.619 2.947 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -3.136 1.311 3.942 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -1.939 1.963 3.640 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -1.427 1.915 2.344 0.00 0.00 +0.026 A ENDBRANCH 2 26 BRANCH 1 32 ATOM 32 O LIG 1 -0.970 -1.160 -0.165 0.00 0.00 -0.438 OA BRANCH 32 35 ATOM 33 C LIG 1 -3.150 -1.604 -2.171 0.00 0.00 +0.047 C ATOM 34 C LIG 1 -3.122 -2.170 -0.780 0.00 0.00 -0.008 A ATOM 35 C LIG 1 -2.069 -1.936 0.125 0.00 0.00 +0.136 A ATOM 36 C LIG 1 -2.049 -2.579 1.382 0.00 0.00 -0.008 A ATOM 37 C LIG 1 -0.887 -2.413 2.322 0.00 0.00 +0.047 C ATOM 38 C LIG 1 -3.119 -3.405 1.748 0.00 0.00 +0.007 A ATOM 39 C LIG 1 -4.189 -3.598 0.879 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -4.188 -2.990 -0.374 0.00 0.00 +0.007 A ENDBRANCH 32 35 ENDBRANCH 1 32 TORSDOF 6