REMARK Name = BDB024108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.898 -1.532 0.256 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.741 -3.039 0.110 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.105 -3.885 1.170 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.964 -5.270 1.056 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.469 -5.827 -0.121 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.122 -5.002 -1.188 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.262 -3.617 -1.078 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.471 -0.951 0.525 0.00 0.00 -0.284 N ATOM 9 H LIG 1 0.378 -1.630 1.270 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -0.646 -0.772 -0.283 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -0.692 -0.105 -1.316 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.376 0.675 0.187 0.00 0.00 +0.017 A ATOM 13 C LIG 1 3.364 1.090 -0.690 0.00 0.00 +0.013 A ATOM 14 C LIG 1 2.066 0.569 -0.606 0.00 0.00 +0.024 A ATOM 15 C LIG 1 1.749 -0.380 0.363 0.00 0.00 +0.033 A ATOM 16 C LIG 1 2.750 -0.793 1.250 0.00 0.00 +0.024 A ATOM 17 C LIG 1 4.049 -0.273 1.163 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 9.286 1.319 0.835 0.00 0.00 +0.065 C ATOM 19 C LIG 1 7.917 1.550 0.331 0.00 0.00 +0.033 A ATOM 20 N LIG 1 6.843 0.775 0.692 0.00 0.00 -0.342 N ATOM 21 H LIG 1 6.873 -0.021 1.310 0.00 0.00 +0.167 HD ATOM 22 C LIG 1 5.719 1.251 0.054 0.00 0.00 +0.138 A ATOM 23 N LIG 1 6.048 2.285 -0.701 0.00 0.00 -0.236 NA ATOM 24 C LIG 1 7.393 2.480 -0.535 0.00 0.00 +0.134 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -3.129 -1.087 -0.436 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.893 -1.005 -1.429 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.584 0.221 0.048 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.802 0.693 -0.757 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.308 2.030 -0.270 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.729 3.219 -0.736 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.184 4.455 -0.272 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -6.215 4.507 0.662 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -6.774 6.030 1.236 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -6.796 3.333 1.138 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -6.342 2.097 0.674 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8