REMARK Name = BDB011897 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.397 -1.758 0.427 0.00 0.00 +0.237 C ATOM 2 N LIG 1 1.292 -2.472 0.825 0.00 0.00 -0.280 N ATOM 3 C LIG 1 -0.124 -2.163 0.547 0.00 0.00 +0.193 C ATOM 4 C LIG 1 -0.823 -3.417 1.007 0.00 0.00 -0.014 A ATOM 5 C LIG 1 0.080 -4.236 1.702 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -0.320 -5.441 2.252 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -1.650 -5.831 2.090 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -2.555 -5.018 1.389 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -2.145 -3.800 0.841 0.00 0.00 +0.006 A ATOM 10 C LIG 1 1.434 -3.601 1.736 0.00 0.00 +0.144 C ATOM 11 O LIG 1 3.527 -2.026 0.851 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 -0.609 -0.932 1.365 0.00 0.00 +0.242 C ATOM 13 N LIG 1 -1.744 -0.348 0.812 0.00 0.00 -0.283 N ATOM 14 H LIG 1 -2.087 -0.767 -0.037 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 -0.015 -0.556 2.373 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 -2.482 0.760 1.296 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -3.575 1.252 0.547 0.00 0.00 -0.023 A ATOM 18 C LIG 1 -4.031 0.694 -0.785 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -4.394 1.806 -1.774 0.00 0.00 +0.005 C ATOM 20 C LIG 1 -5.247 2.935 -1.188 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -5.570 2.769 0.293 0.00 0.00 +0.035 C ATOM 22 C LIG 1 -4.357 2.314 1.065 0.00 0.00 -0.042 A ATOM 23 C LIG 1 -4.040 2.896 2.293 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -2.943 2.435 3.009 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -2.175 1.377 2.516 0.00 0.00 +0.023 A ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 26 ATOM 26 C LIG 1 2.211 -0.650 -0.635 0.00 0.00 +0.162 C BRANCH 26 28 ATOM 27 C LIG 1 3.150 1.652 -0.603 0.00 0.00 +0.230 C ATOM 28 N LIG 1 3.314 0.292 -0.475 0.00 0.00 -0.302 N ATOM 29 H LIG 1 4.150 -0.075 -0.028 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 2.092 2.164 -0.966 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 C LIG 1 4.406 2.475 -0.246 0.00 0.00 +0.137 C ATOM 32 C LIG 1 4.481 2.631 1.270 0.00 0.00 +0.034 C BRANCH 31 34 ATOM 33 C LIG 1 4.625 3.760 -2.297 0.00 0.00 +0.101 C ATOM 34 N LIG 1 4.350 3.817 -0.865 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 3.395 4.167 -0.737 0.00 0.00 +0.122 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 26 28 BRANCH 26 36 ATOM 36 C LIG 1 2.145 -1.262 -2.056 0.00 0.00 +0.012 C ATOM 37 C LIG 1 1.623 -0.253 -3.082 0.00 0.00 +0.009 C ATOM 38 C LIG 1 3.485 -1.835 -2.531 0.00 0.00 +0.009 C ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 7