REMARK Name = BDB001485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.537 0.623 -0.676 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -5.633 -0.410 -0.274 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -5.804 -1.739 0.448 0.00 0.00 -0.001 C ATOM 4 C LIG 1 -4.499 -2.616 0.279 0.00 0.00 +0.050 C ATOM 5 C LIG 1 -3.198 -1.863 0.230 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -3.126 -0.575 -0.257 0.00 0.00 +0.097 A ATOM 7 N LIG 1 -1.988 0.126 -0.391 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -0.854 -0.496 -0.028 0.00 0.00 +0.220 A ATOM 9 N LIG 1 -0.820 -1.754 0.440 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 -1.987 -2.416 0.555 0.00 0.00 +0.120 A ATOM 11 C LIG 1 -6.957 -2.588 -0.120 0.00 0.00 +0.016 C ATOM 12 C LIG 1 -6.041 -1.490 1.951 0.00 0.00 +0.016 C ATOM 13 C LIG 1 -4.374 0.082 -0.595 0.00 0.00 +0.092 A ATOM 14 N LIG 1 -4.574 1.267 -1.235 0.00 0.00 -0.264 N ATOM 15 C LIG 1 -3.582 2.148 -1.807 0.00 0.00 +0.173 C ATOM 16 N LIG 1 -5.873 1.611 -1.321 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 -9.936 2.134 -1.143 0.00 0.00 +0.128 C ATOM 18 N LIG 1 -8.530 1.850 -1.111 0.00 0.00 -0.313 N ATOM 19 H LIG 1 -7.868 2.385 -1.670 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -7.997 0.749 -0.475 0.00 0.00 +0.264 C ATOM 21 O LIG 1 -8.671 -0.027 0.193 0.00 0.00 -0.268 OA ENDBRANCH 1 20 BRANCH 8 22 ATOM 22 N LIG 1 0.302 0.267 -0.174 0.00 0.00 -0.284 N ATOM 23 H LIG 1 0.049 1.184 -0.509 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 1.656 0.042 0.088 0.00 0.00 +0.034 A ATOM 25 C LIG 1 2.571 1.074 -0.175 0.00 0.00 +0.027 A ATOM 26 C LIG 1 3.946 0.921 0.058 0.00 0.00 +0.047 A ATOM 27 C LIG 1 4.437 -0.277 0.566 0.00 0.00 +0.121 A ATOM 28 C LIG 1 3.542 -1.314 0.821 0.00 0.00 +0.047 A ATOM 29 C LIG 1 2.170 -1.156 0.587 0.00 0.00 +0.027 A BRANCH 27 30 ATOM 30 O LIG 1 5.743 -0.572 0.833 0.00 0.00 -0.489 OA BRANCH 30 31 ATOM 31 C LIG 1 6.711 0.486 0.823 0.00 0.00 +0.176 C ATOM 32 C LIG 1 7.269 0.701 -0.592 0.00 0.00 +0.060 C ATOM 33 C LIG 1 8.572 -0.068 -0.802 0.00 0.00 +0.087 C ATOM 34 N LIG 1 9.630 0.302 0.147 0.00 0.00 -0.305 NA ATOM 35 C LIG 1 10.574 1.263 -0.418 0.00 0.00 +0.104 C ATOM 36 C LIG 1 9.131 0.758 1.450 0.00 0.00 +0.087 C ATOM 37 C LIG 1 7.813 0.086 1.814 0.00 0.00 +0.060 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 5