REMARK Name = BDB016509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.202 -0.473 1.020 0.00 0.00 -0.266 N ATOM 2 N LIG 1 0.684 -1.591 1.557 0.00 0.00 -0.164 NA ATOM 3 C LIG 1 0.091 -1.176 2.696 0.00 0.00 +0.168 A ATOM 4 C LIG 1 -0.597 -2.069 3.646 0.00 0.00 +0.266 C ATOM 5 N LIG 1 -1.061 -3.311 3.263 0.00 0.00 -0.310 N ATOM 6 H LIG 1 -1.554 -3.773 4.015 0.00 0.00 +0.149 HD ATOM 7 C LIG 1 -1.216 -3.863 1.928 0.00 0.00 +0.104 C ATOM 8 C LIG 1 -2.393 -3.230 1.182 0.00 0.00 +0.019 C ATOM 9 C LIG 1 -2.528 -3.781 -0.240 0.00 0.00 +0.002 C ATOM 10 C LIG 1 -3.788 -3.301 -0.978 0.00 0.00 +0.002 C ATOM 11 C LIG 1 -3.973 -1.783 -1.067 0.00 0.00 +0.023 C ATOM 12 C LIG 1 -2.898 -1.085 -1.902 0.00 0.00 +0.143 C ATOM 13 N LIG 1 -2.769 0.324 -1.572 0.00 0.00 -0.271 N ATOM 14 N LIG 1 -3.047 1.284 -2.473 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -2.722 2.416 -1.833 0.00 0.00 +0.144 A ATOM 16 C LIG 1 -2.220 2.187 -0.533 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.707 3.057 0.508 0.00 0.00 +0.075 A ATOM 18 N LIG 1 -1.372 2.423 1.654 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 -0.804 3.139 2.652 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -0.475 2.394 3.910 0.00 0.00 +0.267 C ATOM 21 N LIG 1 -0.260 1.028 3.881 0.00 0.00 -0.277 N ATOM 22 H LIG 1 -0.467 0.539 4.749 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 -0.499 2.997 4.984 0.00 0.00 -0.268 OA ATOM 24 C LIG 1 -0.605 4.509 2.569 0.00 0.00 +0.033 A ATOM 25 C LIG 1 -0.973 5.156 1.390 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -1.528 4.422 0.339 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -2.267 0.815 -0.406 0.00 0.00 +0.118 A ATOM 28 O LIG 1 -0.803 -1.720 4.812 0.00 0.00 -0.268 OA ATOM 29 C LIG 1 0.219 0.244 2.842 0.00 0.00 +0.084 A ATOM 30 C LIG 1 0.961 0.646 1.758 0.00 0.00 +0.132 A ENDROOT BRANCH 1 34 ATOM 31 N LIG 1 3.643 0.580 -2.280 0.00 0.00 -0.181 NA ATOM 32 C LIG 1 2.235 0.196 -2.595 0.00 0.00 +0.111 C ATOM 33 C LIG 1 1.389 0.297 -1.332 0.00 0.00 +0.044 C ATOM 34 C LIG 1 1.977 -0.567 -0.212 0.00 0.00 +0.110 C ATOM 35 C LIG 1 3.452 -0.232 0.029 0.00 0.00 +0.044 C ATOM 36 C LIG 1 4.240 -0.338 -1.269 0.00 0.00 +0.111 C BRANCH 31 38 ATOM 37 C LIG 1 5.934 1.815 -3.063 0.00 0.00 +0.215 C ATOM 38 S LIG 1 4.598 0.814 -3.686 0.00 0.00 +0.029 S ATOM 39 O LIG 1 3.837 1.630 -4.607 0.00 0.00 -0.158 OA ATOM 40 O LIG 1 5.117 -0.479 -4.078 0.00 0.00 -0.158 OA ENDBRANCH 31 38 ENDBRANCH 1 34 TORSDOF 2