REMARK Name = BDB057599 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.362 -0.020 -1.558 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -0.989 -0.022 -1.845 0.00 0.00 +0.100 A ATOM 3 C LIG 1 -1.033 0.000 -3.274 0.00 0.00 +0.074 A ATOM 4 C LIG 1 -2.206 -0.091 -4.182 0.00 0.00 +0.068 C ATOM 5 N LIG 1 0.191 0.093 -3.816 0.00 0.00 -0.177 NA ATOM 6 N LIG 1 1.012 0.068 -2.751 0.00 0.00 -0.262 N ATOM 7 H LIG 1 2.016 0.099 -2.880 0.00 0.00 +0.190 HD ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 -2.039 -0.081 -0.834 0.00 0.00 +0.253 C ATOM 9 N LIG 1 -3.233 0.494 -1.228 0.00 0.00 -0.281 N ATOM 10 H LIG 1 -3.213 1.019 -2.090 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -1.808 -0.553 0.275 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 -4.446 0.545 -0.509 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -4.671 -0.118 0.700 0.00 0.00 +0.069 A ATOM 14 C LIG 1 -5.909 -0.029 1.351 0.00 0.00 +0.122 A ATOM 15 C LIG 1 -6.932 0.730 0.784 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -6.720 1.391 -0.425 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -5.485 1.297 -1.069 0.00 0.00 +0.023 A BRANCH 14 18 ATOM 18 O LIG 1 -5.988 -0.729 2.525 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 -7.219 -0.667 3.233 0.00 0.00 +0.277 C ENDBRANCH 14 18 ENDBRANCH 9 12 ENDBRANCH 2 8 BRANCH 1 20 ATOM 20 N LIG 1 1.042 -0.083 -0.392 0.00 0.00 -0.221 N ATOM 21 H LIG 1 0.491 -0.250 0.459 0.00 0.00 +0.176 HD BRANCH 20 23 ATOM 22 C LIG 1 2.894 -0.221 0.850 0.00 0.00 +0.138 C ATOM 23 N LIG 1 2.400 -0.089 -0.342 0.00 0.00 -0.189 NA BRANCH 22 27 ATOM 24 C LIG 1 7.104 -0.307 1.601 0.00 0.00 +0.120 A ATOM 25 C LIG 1 6.186 -0.422 2.650 0.00 0.00 +0.046 A ATOM 26 C LIG 1 4.811 -0.394 2.403 0.00 0.00 +0.013 A ATOM 27 C LIG 1 4.350 -0.249 1.094 0.00 0.00 -0.005 A ATOM 28 C LIG 1 5.260 -0.133 0.040 0.00 0.00 +0.013 A ATOM 29 C LIG 1 6.636 -0.162 0.294 0.00 0.00 +0.046 A BRANCH 24 31 ATOM 30 C LIG 1 9.391 -0.242 0.957 0.00 0.00 +0.277 C ATOM 31 O LIG 1 8.415 -0.350 1.986 0.00 0.00 -0.495 OA ENDBRANCH 24 31 ENDBRANCH 22 27 ENDBRANCH 20 23 ENDBRANCH 1 20 TORSDOF 7