REMARK Name = BDB059219 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.636 -0.708 0.917 0.00 0.00 +0.126 A ATOM 2 C LIG 1 0.517 -0.020 0.535 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.930 -0.168 0.372 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.331 1.201 -0.046 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -0.172 2.156 -0.235 0.00 0.00 +0.078 C ATOM 6 C LIG 1 0.006 2.563 -1.703 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -0.295 3.380 0.679 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.620 1.560 -0.369 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -3.551 0.576 -0.150 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -3.439 0.107 0.739 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -2.920 2.661 -0.818 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.943 1.261 0.205 0.00 0.00 +0.092 A ATOM 13 N LIG 1 2.250 1.439 0.358 0.00 0.00 -0.175 NA ATOM 14 N LIG 1 2.656 0.220 0.796 0.00 0.00 -0.263 N ATOM 15 H LIG 1 3.640 0.111 1.010 0.00 0.00 +0.190 HD ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 2.824 -2.734 1.758 0.00 0.00 +0.249 C ATOM 17 N LIG 1 1.721 -2.008 1.371 0.00 0.00 -0.266 N ATOM 18 H LIG 1 0.848 -2.481 1.581 0.00 0.00 +0.157 HD ATOM 19 O LIG 1 2.688 -3.761 2.420 0.00 0.00 -0.270 OA BRANCH 16 23 ATOM 20 C LIG 1 6.800 -1.623 0.641 0.00 0.00 +0.034 A ATOM 21 C LIG 1 6.452 -1.789 1.990 0.00 0.00 +0.024 A ATOM 22 C LIG 1 5.152 -2.152 2.352 0.00 0.00 +0.015 A ATOM 23 C LIG 1 4.186 -2.337 1.362 0.00 0.00 +0.037 A ATOM 24 C LIG 1 4.526 -2.205 0.013 0.00 0.00 +0.015 A ATOM 25 C LIG 1 5.830 -1.841 -0.342 0.00 0.00 +0.024 A BRANCH 20 27 ATOM 26 C LIG 1 8.683 -0.983 -0.869 0.00 0.00 +0.241 C ATOM 27 N LIG 1 8.133 -1.258 0.363 0.00 0.00 -0.282 N ATOM 28 H LIG 1 8.739 -1.146 1.164 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 8.107 -0.929 -1.948 0.00 0.00 -0.271 OA BRANCH 26 31 ATOM 30 C LIG 1 11.027 -1.194 0.013 0.00 0.00 +0.013 C ATOM 31 C LIG 1 10.135 -0.651 -0.826 0.00 0.00 +0.060 C ENDBRANCH 26 31 ENDBRANCH 20 27 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 32 ATOM 32 C LIG 1 -4.966 0.826 -0.427 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 C LIG 1 -5.281 0.706 -1.910 0.00 0.00 -0.026 A ATOM 34 C LIG 1 -5.991 1.725 -2.562 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -6.307 1.618 -3.918 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.917 0.491 -4.639 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.205 -0.526 -4.008 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.887 -0.419 -2.653 0.00 0.00 +0.005 A ENDBRANCH 32 33 BRANCH 32 39 ATOM 39 C LIG 1 -5.843 -0.161 0.402 0.00 0.00 +0.111 C BRANCH 39 40 ATOM 40 N LIG 1 -5.409 -0.291 1.821 0.00 0.00 -0.306 NA ATOM 41 C LIG 1 -5.670 0.944 2.571 0.00 0.00 +0.104 C ATOM 42 C LIG 1 -6.124 -1.405 2.453 0.00 0.00 +0.104 C ENDBRANCH 39 40 ENDBRANCH 32 39 ENDBRANCH 9 32 TORSDOF 8