REMARK Name = BDB051028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.258 -0.836 -1.046 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.199 0.583 -1.141 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.033 1.234 -1.352 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -2.175 0.456 -1.428 0.00 0.00 +0.138 A ATOM 5 O LIG 1 -3.274 1.235 -1.620 0.00 0.00 -0.458 OA ATOM 6 C LIG 1 -2.846 2.531 -1.665 0.00 0.00 +0.120 A ATOM 7 C LIG 1 -2.186 -0.929 -1.317 0.00 0.00 +0.070 A ATOM 8 C LIG 1 -1.475 2.577 -1.514 0.00 0.00 +0.055 A ATOM 9 C LIG 1 -0.948 -1.581 -1.127 0.00 0.00 +0.037 A ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 1.397 1.440 -1.022 0.00 0.00 +0.245 C ATOM 11 N LIG 1 1.985 1.430 0.218 0.00 0.00 -0.307 N ATOM 12 H LIG 1 1.570 0.890 0.971 0.00 0.00 +0.149 HD ATOM 13 O LIG 1 1.765 2.120 -1.969 0.00 0.00 -0.270 OA BRANCH 11 14 ATOM 14 C LIG 1 3.201 2.150 0.518 0.00 0.00 +0.149 C BRANCH 14 15 ATOM 15 C LIG 1 4.274 1.178 0.890 0.00 0.00 +0.075 A ATOM 16 C LIG 1 4.073 0.400 2.149 0.00 0.00 +0.257 A ATOM 17 O LIG 1 3.065 0.529 2.838 0.00 0.00 -0.267 OA ATOM 18 N LIG 1 5.067 -0.484 2.494 0.00 0.00 -0.326 N ATOM 19 H LIG 1 4.904 -1.009 3.345 0.00 0.00 +0.169 HD ATOM 20 C LIG 1 6.198 -0.716 1.749 0.00 0.00 +0.019 A ATOM 21 C LIG 1 7.149 -1.757 2.250 0.00 0.00 +0.063 C ATOM 22 C LIG 1 6.384 -0.017 0.619 0.00 0.00 +0.067 A ATOM 23 C LIG 1 5.417 0.977 0.208 0.00 0.00 +0.132 A BRANCH 23 24 ATOM 24 O LIG 1 5.698 1.614 -0.980 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 6.580 2.720 -0.786 0.00 0.00 +0.277 C ENDBRANCH 23 24 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 2 10 BRANCH 1 27 ATOM 26 C LIG 1 2.369 -1.577 -2.223 0.00 0.00 +0.009 C ATOM 27 C LIG 1 1.591 -1.552 -0.914 0.00 0.00 +0.034 C ENDBRANCH 1 27 BRANCH 6 28 ATOM 28 C LIG 1 -3.888 3.577 -1.881 0.00 0.00 +0.158 C BRANCH 28 29 ATOM 29 N LIG 1 -4.576 4.043 -0.669 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -5.302 2.995 0.040 0.00 0.00 +0.085 C ATOM 31 C LIG 1 -6.303 3.624 1.018 0.00 0.00 +0.015 C ATOM 32 C LIG 1 -5.771 4.883 1.706 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -4.251 4.939 1.654 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -3.733 4.859 0.211 0.00 0.00 +0.085 C ENDBRANCH 28 29 ENDBRANCH 6 28 BRANCH 9 35 ATOM 35 N LIG 1 -0.898 -3.006 -1.010 0.00 0.00 -0.327 N BRANCH 35 36 ATOM 36 C LIG 1 -1.647 -3.520 0.184 0.00 0.00 +0.078 C ATOM 37 C LIG 1 -1.346 -5.017 0.393 0.00 0.00 +0.050 C ATOM 38 C LIG 1 -1.591 -5.472 1.826 0.00 0.00 +0.161 C ATOM 39 O LIG 1 -2.574 -4.652 2.442 0.00 0.00 -0.380 OA ATOM 40 C LIG 1 -2.101 -3.321 2.652 0.00 0.00 +0.161 C ATOM 41 C LIG 1 -1.276 -2.787 1.483 0.00 0.00 +0.050 C ENDBRANCH 35 36 BRANCH 35 42 ATOM 42 C LIG 1 -1.284 -3.615 -2.311 0.00 0.00 +0.102 C ATOM 43 C LIG 1 -0.254 -4.647 -2.750 0.00 0.00 +0.024 C ENDBRANCH 35 42 ENDBRANCH 9 35 TORSDOF 10