REMARK Name = BDB060372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.790 0.675 -0.429 0.00 0.00 +0.222 C ATOM 2 N LIG 1 -1.450 0.312 -0.535 0.00 0.00 -0.289 N ATOM 3 C LIG 1 -0.635 1.117 -1.448 0.00 0.00 +0.162 C ATOM 4 C LIG 1 0.783 1.024 -1.020 0.00 0.00 +0.044 A ATOM 5 C LIG 1 1.339 0.063 -0.207 0.00 0.00 +0.030 A ATOM 6 C LIG 1 0.547 -0.996 0.331 0.00 0.00 +0.088 A ATOM 7 N LIG 1 0.978 -1.942 1.104 0.00 0.00 -0.174 NA ATOM 8 N LIG 1 2.244 -2.120 1.577 0.00 0.00 -0.242 N ATOM 9 H LIG 1 2.319 -2.939 2.176 0.00 0.00 +0.192 HD ATOM 10 C LIG 1 3.467 -1.491 1.458 0.00 0.00 +0.273 A ATOM 11 C LIG 1 3.716 -0.277 0.666 0.00 0.00 +0.053 A ATOM 12 C LIG 1 5.005 0.283 0.615 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.245 1.433 -0.128 0.00 0.00 +0.126 A ATOM 14 C LIG 1 4.236 2.075 -0.845 0.00 0.00 +0.064 A ATOM 15 C LIG 1 2.960 1.508 -0.786 0.00 0.00 +0.051 A ATOM 16 F LIG 1 6.483 1.944 -0.158 0.00 0.00 -0.205 F ATOM 17 O LIG 1 4.423 -1.986 2.063 0.00 0.00 -0.266 OA ATOM 18 C LIG 1 2.696 0.350 -0.047 0.00 0.00 +0.021 A ATOM 19 N LIG 1 1.773 1.902 -1.370 0.00 0.00 -0.356 N ATOM 20 H LIG 1 1.661 2.721 -1.955 0.00 0.00 +0.166 HD ATOM 21 C LIG 1 -0.928 -1.004 -0.106 0.00 0.00 +0.166 C ATOM 22 O LIG 1 -3.250 1.687 -0.947 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 24 ATOM 23 C LIG 1 -3.711 0.021 1.871 0.00 0.00 +0.021 C ATOM 24 C LIG 1 -3.713 -0.203 0.377 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -4.071 -1.586 -0.156 0.00 0.00 +0.017 C ATOM 26 C LIG 1 -5.081 -0.489 -0.237 0.00 0.00 +0.017 C ENDBRANCH 1 24 TORSDOF 1