REMARK Name = BDB005073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.528 -0.298 1.918 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.146 -0.769 1.531 0.00 0.00 -0.029 A ATOM 3 C LIG 1 -0.663 0.023 0.695 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -1.955 -0.380 0.319 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -2.398 -1.633 0.752 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -1.607 -2.434 1.580 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.342 -2.004 1.972 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 -2.688 0.432 -0.575 0.00 0.00 -0.299 N ATOM 9 H LIG 1 -2.309 1.371 -0.622 0.00 0.00 +0.154 HD BRANCH 8 10 ATOM 10 C LIG 1 -4.088 0.481 -0.787 0.00 0.00 +0.124 A ATOM 11 N LIG 1 -4.947 -0.170 0.023 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -6.268 -0.102 -0.218 0.00 0.00 +0.073 A ATOM 13 C LIG 1 -6.803 0.624 -1.300 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -8.193 0.665 -1.512 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -9.055 -0.012 -0.653 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -8.534 -0.730 0.417 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -5.908 1.289 -2.140 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -7.151 -0.767 0.622 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -4.542 1.215 -1.881 0.00 0.00 +0.044 A ENDBRANCH 8 10 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 2.377 -0.321 0.732 0.00 0.00 -0.324 N ATOM 21 H LIG 1 2.346 -1.235 0.290 0.00 0.00 +0.148 HD BRANCH 20 25 ATOM 22 C LIG 1 6.872 0.401 -0.928 0.00 0.00 +0.063 A ATOM 23 C LIG 1 5.952 0.414 0.142 0.00 0.00 +0.088 A ATOM 24 C LIG 1 4.622 0.045 -0.140 0.00 0.00 +0.041 A ATOM 25 C LIG 1 3.721 0.050 0.946 0.00 0.00 +0.130 A ATOM 26 N LIG 1 4.089 0.427 2.180 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 5.365 0.768 2.344 0.00 0.00 +0.223 A ATOM 28 C LIG 1 4.242 -0.299 -1.462 0.00 0.00 +0.013 A ATOM 29 C LIG 1 5.162 -0.302 -2.500 0.00 0.00 +0.002 A ATOM 30 N LIG 1 6.310 0.769 1.397 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 6.476 0.043 -2.232 0.00 0.00 +0.015 A BRANCH 22 35 ATOM 32 N LIG 1 8.774 1.102 0.466 0.00 0.00 -0.325 N ATOM 33 H LIG 1 9.742 1.367 0.576 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 8.144 1.138 1.262 0.00 0.00 +0.145 HD ATOM 35 C LIG 1 8.317 0.761 -0.772 0.00 0.00 +0.244 C ATOM 36 O LIG 1 9.088 0.754 -1.727 0.00 0.00 -0.270 OA ENDBRANCH 22 35 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 6