REMARK Name = BDB030795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.828 -2.187 -3.522 0.00 0.00 +0.152 C ATOM 2 N LIG 1 -2.353 -1.378 -2.431 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -1.589 -1.196 -1.243 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -2.088 -0.380 -0.211 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -1.252 -0.122 0.900 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.031 -0.679 1.031 0.00 0.00 +0.033 A ATOM 7 C LIG 1 0.461 -1.546 0.033 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -3.459 0.199 -0.319 0.00 0.00 +0.056 A ATOM 9 N LIG 1 -4.006 0.810 0.815 0.00 0.00 -0.336 N ATOM 10 H LIG 1 -3.542 0.585 1.688 0.00 0.00 +0.147 HD ATOM 11 C LIG 1 -4.620 2.148 0.814 0.00 0.00 +0.111 C ATOM 12 C LIG 1 -5.895 2.177 -0.045 0.00 0.00 +0.254 C ATOM 13 O LIG 1 -5.567 1.857 -1.402 0.00 0.00 -0.459 OA ATOM 14 C LIG 1 -5.507 0.511 -1.574 0.00 0.00 +0.346 C ATOM 15 O LIG 1 -6.484 -0.195 -1.772 0.00 0.00 -0.245 OA ATOM 16 C LIG 1 -4.117 0.034 -1.486 0.00 0.00 +0.145 A ATOM 17 C LIG 1 -0.326 -1.789 -1.096 0.00 0.00 +0.028 A ATOM 18 C LIG 1 -3.559 -0.718 -2.632 0.00 0.00 +0.267 A ATOM 19 O LIG 1 -4.158 -0.734 -3.706 0.00 0.00 -0.267 OA ENDROOT BRANCH 11 20 ATOM 20 C LIG 1 -4.811 2.564 2.254 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -6.075 3.182 2.811 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -5.704 1.774 3.185 0.00 0.00 +0.006 C ENDBRANCH 11 20 BRANCH 6 23 ATOM 23 N LIG 1 0.783 -0.410 2.190 0.00 0.00 -0.298 N ATOM 24 H LIG 1 0.368 0.296 2.789 0.00 0.00 +0.154 HD BRANCH 23 25 ATOM 25 C LIG 1 2.190 -0.445 2.387 0.00 0.00 +0.147 A ATOM 26 C LIG 1 2.690 -0.321 3.675 0.00 0.00 +0.099 A ATOM 27 CL LIG 1 1.696 -0.074 5.056 0.00 0.00 -0.078 Cl ATOM 28 C LIG 1 4.054 -0.388 3.800 0.00 0.00 +0.137 A ATOM 29 N LIG 1 4.890 -0.557 2.758 0.00 0.00 -0.221 NA ATOM 30 C LIG 1 4.347 -0.669 1.537 0.00 0.00 +0.220 A ATOM 31 N LIG 1 3.019 -0.624 1.335 0.00 0.00 -0.198 NA BRANCH 30 32 ATOM 32 N LIG 1 5.178 -0.848 0.450 0.00 0.00 -0.299 N ATOM 33 C LIG 1 4.581 -0.894 -0.880 0.00 0.00 +0.114 C ATOM 34 C LIG 1 5.600 -1.429 -1.871 0.00 0.00 +0.094 C ATOM 35 C LIG 1 6.829 -0.543 -1.886 0.00 0.00 +0.252 C ATOM 36 F LIG 1 7.905 -1.305 -2.223 0.00 0.00 -0.206 F ATOM 37 F LIG 1 6.705 0.378 -2.881 0.00 0.00 -0.206 F ATOM 38 C LIG 1 7.120 0.190 -0.592 0.00 0.00 +0.094 C ATOM 39 C LIG 1 6.611 -0.612 0.595 0.00 0.00 +0.114 C ENDBRANCH 30 32 ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 4