REMARK Name = BDB005071 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.061 -1.017 1.422 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.289 -0.576 0.630 0.00 0.00 -0.025 A ATOM 3 C LIG 1 -1.880 0.678 0.895 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -3.032 1.124 0.227 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -3.608 0.286 -0.728 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -3.057 -0.966 -0.997 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -1.914 -1.396 -0.319 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 -3.537 2.398 0.553 0.00 0.00 -0.299 N ATOM 9 H LIG 1 -2.833 3.123 0.433 0.00 0.00 +0.154 HD BRANCH 8 10 ATOM 10 C LIG 1 -4.773 2.984 0.260 0.00 0.00 +0.123 A ATOM 11 N LIG 1 -4.744 4.294 -0.065 0.00 0.00 -0.240 NA ATOM 12 C LIG 1 -5.920 4.904 -0.332 0.00 0.00 +0.113 A ATOM 13 C LIG 1 -7.149 4.270 -0.277 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -7.171 2.930 0.081 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -5.970 2.280 0.359 0.00 0.00 +0.044 A ENDBRANCH 8 10 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 N LIG 1 0.982 0.012 1.592 0.00 0.00 -0.322 N ATOM 17 H LIG 1 0.679 0.715 2.258 0.00 0.00 +0.148 HD BRANCH 16 21 ATOM 18 C LIG 1 4.119 3.219 -0.234 0.00 0.00 +0.063 A ATOM 19 C LIG 1 3.102 2.261 -0.433 0.00 0.00 +0.088 A ATOM 20 C LIG 1 2.586 1.611 0.706 0.00 0.00 +0.041 A ATOM 21 C LIG 1 1.557 0.668 0.490 0.00 0.00 +0.130 A ATOM 22 N LIG 1 1.128 0.366 -0.739 0.00 0.00 -0.220 NA ATOM 23 C LIG 1 1.675 1.027 -1.755 0.00 0.00 +0.223 A ATOM 24 C LIG 1 3.107 1.909 1.991 0.00 0.00 +0.013 A ATOM 25 C LIG 1 4.111 2.851 2.164 0.00 0.00 +0.002 A ATOM 26 N LIG 1 2.627 1.961 -1.662 0.00 0.00 -0.235 NA ATOM 27 C LIG 1 4.612 3.508 1.053 0.00 0.00 +0.015 A BRANCH 18 31 ATOM 28 N LIG 1 4.313 3.770 -2.624 0.00 0.00 -0.325 N ATOM 29 H LIG 1 4.744 4.271 -3.386 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 3.592 3.079 -2.814 0.00 0.00 +0.145 HD ATOM 31 C LIG 1 4.749 3.991 -1.352 0.00 0.00 +0.244 C ATOM 32 O LIG 1 5.639 4.809 -1.145 0.00 0.00 -0.270 OA ENDBRANCH 18 31 ENDBRANCH 16 21 ENDBRANCH 1 16 BRANCH 1 33 ATOM 33 C LIG 1 0.550 -2.420 1.176 0.00 0.00 +0.042 C BRANCH 33 34 ATOM 34 C LIG 1 1.325 -2.616 -0.135 0.00 0.00 +0.086 C BRANCH 34 35 ATOM 35 N LIG 1 1.740 -3.987 -0.456 0.00 0.00 -0.302 NA ATOM 36 C LIG 1 0.662 -4.910 -0.786 0.00 0.00 +0.084 C ATOM 37 C LIG 1 1.365 -6.262 -0.813 0.00 0.00 +0.017 C ATOM 38 C LIG 1 2.644 -6.070 -0.003 0.00 0.00 +0.017 C ATOM 39 C LIG 1 2.553 -4.656 0.551 0.00 0.00 +0.084 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 9