REMARK Name = BDB005007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.063 2.021 0.728 0.00 0.00 -0.324 N ATOM 2 H LIG 1 -1.643 1.242 0.227 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.772 1.518 1.839 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -3.709 0.479 1.643 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -4.380 0.024 2.790 0.00 0.00 +0.088 A ATOM 6 C LIG 1 -5.304 -1.015 2.622 0.00 0.00 +0.063 A ATOM 7 C LIG 1 -5.571 -1.599 1.373 0.00 0.00 +0.021 A ATOM 8 C LIG 1 -4.908 -1.154 0.232 0.00 0.00 -0.021 A ATOM 9 N LIG 1 -4.125 0.553 4.000 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -3.255 1.562 4.065 0.00 0.00 +0.223 A ATOM 11 C LIG 1 -3.994 -0.105 0.377 0.00 0.00 +0.019 A ATOM 12 N LIG 1 -2.569 2.075 3.044 0.00 0.00 -0.220 NA BRANCH 6 13 ATOM 13 C LIG 1 -6.064 -1.525 3.784 0.00 0.00 +0.244 C ATOM 14 O LIG 1 -6.784 -0.814 4.470 0.00 0.00 -0.270 OA ATOM 15 N LIG 1 -5.947 -2.869 4.020 0.00 0.00 -0.325 N ATOM 16 H LIG 1 -6.379 -3.221 4.864 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 -5.248 -3.437 3.562 0.00 0.00 +0.145 HD ENDBRANCH 6 13 BRANCH 8 18 ATOM 18 C LIG 1 -5.211 -1.730 -1.123 0.00 0.00 +0.191 C BRANCH 18 19 ATOM 19 O LIG 1 -5.333 -3.143 -1.026 0.00 0.00 -0.390 OA ATOM 20 H LIG 1 -5.515 -3.468 -1.924 0.00 0.00 +0.210 HD ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 -1.060 3.050 0.988 0.00 0.00 +0.138 C BRANCH 21 24 ATOM 22 C LIG 1 2.293 1.279 0.514 0.00 0.00 +0.034 A ATOM 23 C LIG 1 1.061 1.881 0.252 0.00 0.00 +0.028 A ATOM 24 C LIG 1 0.287 2.430 1.290 0.00 0.00 -0.029 A ATOM 25 C LIG 1 0.765 2.365 2.604 0.00 0.00 +0.005 A ATOM 26 C LIG 1 1.999 1.779 2.874 0.00 0.00 +0.002 A ATOM 27 C LIG 1 2.761 1.242 1.833 0.00 0.00 +0.023 A BRANCH 22 29 ATOM 28 C LIG 1 2.800 0.506 -1.811 0.00 0.00 +0.248 C ATOM 29 N LIG 1 3.115 0.708 -0.479 0.00 0.00 -0.281 N ATOM 30 H LIG 1 3.994 0.327 -0.154 0.00 0.00 +0.155 HD ATOM 31 O LIG 1 1.718 0.708 -2.349 0.00 0.00 -0.270 OA BRANCH 28 35 ATOM 32 C LIG 1 5.934 -1.170 -4.229 0.00 0.00 +0.120 A ATOM 33 C LIG 1 6.251 -0.252 -3.226 0.00 0.00 +0.046 A ATOM 34 C LIG 1 5.240 0.303 -2.432 0.00 0.00 +0.016 A ATOM 35 C LIG 1 3.904 -0.065 -2.634 0.00 0.00 +0.037 A ATOM 36 C LIG 1 3.583 -0.970 -3.650 0.00 0.00 +0.016 A ATOM 37 C LIG 1 4.597 -1.522 -4.437 0.00 0.00 +0.046 A BRANCH 32 39 ATOM 38 C LIG 1 8.194 -1.441 -4.920 0.00 0.00 +0.277 C ATOM 39 O LIG 1 6.821 -1.784 -5.068 0.00 0.00 -0.495 OA ENDBRANCH 32 39 ENDBRANCH 28 35 ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 9