REMARK Name = BDB011756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.765 -0.428 0.228 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.595 -0.448 0.883 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.769 -1.232 1.829 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.609 0.384 0.406 0.00 0.00 -0.264 N ATOM 5 C LIG 1 1.508 1.442 -0.611 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.323 2.013 -1.177 0.00 0.00 +0.059 A ATOM 7 C LIG 1 0.462 3.041 -2.155 0.00 0.00 +0.045 A ATOM 8 C LIG 1 1.693 3.494 -2.608 0.00 0.00 +0.043 A ATOM 9 C LIG 1 2.841 2.950 -2.087 0.00 0.00 +0.022 A ATOM 10 CL LIG 1 1.786 4.743 -3.784 0.00 0.00 -0.083 Cl ATOM 11 N LIG 1 -1.043 1.746 -0.785 0.00 0.00 -0.263 N ATOM 12 C LIG 1 -2.098 1.867 -1.721 0.00 0.00 +0.251 C ATOM 13 O LIG 1 -1.961 1.825 -2.942 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.740 1.956 -1.110 0.00 0.00 +0.027 A ATOM 15 C LIG 1 -1.284 0.982 0.423 0.00 0.00 +0.145 C ENDROOT BRANCH 12 16 ATOM 16 C LIG 1 -3.470 2.109 -1.206 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -3.705 3.099 -0.245 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -5.007 3.325 0.212 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -6.085 2.609 -0.319 0.00 0.00 +0.025 A ATOM 20 C LIG 1 -5.830 1.597 -1.251 0.00 0.00 +0.023 A ATOM 21 C LIG 1 -4.534 1.367 -1.719 0.00 0.00 +0.015 A BRANCH 19 22 ATOM 22 N LIG 1 -7.363 2.753 0.232 0.00 0.00 -0.358 N ATOM 23 H LIG 1 -7.541 3.673 0.622 0.00 0.00 +0.142 HD ATOM 24 H LIG 1 -8.109 2.451 -0.388 0.00 0.00 +0.142 HD ENDBRANCH 19 22 ENDBRANCH 12 16 BRANCH 1 26 ATOM 25 C LIG 1 -2.764 -1.892 0.335 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -1.601 -1.431 0.898 0.00 0.00 -0.301 N ATOM 27 H LIG 1 -1.162 -1.930 1.667 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -3.227 -1.391 -0.690 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -3.498 -3.006 1.126 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -2.593 -4.207 1.389 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -5.822 -3.719 1.177 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -4.665 -3.458 0.336 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -4.895 -2.713 -0.332 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 1 26 BRANCH 4 34 ATOM 34 C LIG 1 2.895 0.208 1.122 0.00 0.00 +0.149 C BRANCH 34 35 ATOM 35 C LIG 1 4.056 -0.538 0.444 0.00 0.00 -0.019 A ATOM 36 C LIG 1 5.394 -0.222 0.899 0.00 0.00 -0.013 A ATOM 37 C LIG 1 6.508 -0.821 0.255 0.00 0.00 -0.018 A ATOM 38 C LIG 1 7.822 -0.517 0.649 0.00 0.00 +0.008 A ATOM 39 C LIG 1 8.074 0.368 1.692 0.00 0.00 +0.001 A ATOM 40 C LIG 1 7.011 0.953 2.358 0.00 0.00 +0.001 A ATOM 41 C LIG 1 6.306 -1.732 -0.779 0.00 0.00 +0.009 A ATOM 42 C LIG 1 5.022 -2.086 -1.171 0.00 0.00 +0.004 A ATOM 43 C LIG 1 5.699 0.660 1.971 0.00 0.00 +0.009 A ATOM 44 C LIG 1 3.888 -1.522 -0.565 0.00 0.00 -0.045 A ATOM 45 C LIG 1 2.560 -2.035 -1.051 0.00 0.00 +0.044 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 7