REMARK Name = BDB056499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.929 -0.985 1.536 0.00 0.00 +0.111 A ATOM 2 C LIG 1 1.018 -1.691 0.731 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.105 -3.166 0.453 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -0.068 -0.984 0.168 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.262 0.380 0.402 0.00 0.00 +0.034 A ATOM 6 C LIG 1 0.643 1.057 1.220 0.00 0.00 +0.025 A ATOM 7 C LIG 1 1.725 0.382 1.788 0.00 0.00 +0.031 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.334 1.127 -0.120 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -1.364 2.113 0.141 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -2.368 0.685 -0.930 0.00 0.00 +0.237 C ATOM 11 O LIG 1 -2.510 -0.444 -1.391 0.00 0.00 -0.274 OA BRANCH 10 12 ATOM 12 C LIG 1 -3.378 1.787 -1.257 0.00 0.00 +0.222 C BRANCH 12 13 ATOM 13 N LIG 1 -4.115 2.214 -0.067 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -5.309 1.550 0.342 0.00 0.00 +0.059 A ATOM 15 C LIG 1 -6.017 2.031 1.451 0.00 0.00 +0.063 A ATOM 16 C LIG 1 -7.196 1.417 1.893 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -7.681 0.296 1.228 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -6.986 -0.206 0.131 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -5.498 3.205 2.174 0.00 0.00 +0.262 A ATOM 20 O LIG 1 -6.090 3.700 3.125 0.00 0.00 -0.267 OA ATOM 21 N LIG 1 -4.307 3.709 1.728 0.00 0.00 -0.274 N ATOM 22 H LIG 1 -3.922 4.481 2.251 0.00 0.00 +0.173 HD ATOM 23 C LIG 1 -5.809 0.413 -0.310 0.00 0.00 +0.027 A ATOM 24 C LIG 1 -3.573 3.246 0.680 0.00 0.00 +0.330 A ATOM 25 O LIG 1 -2.460 3.722 0.449 0.00 0.00 -0.246 OA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 5 8 BRANCH 1 26 ATOM 26 S LIG 1 3.335 -1.734 2.356 0.00 0.00 +0.073 S ATOM 27 O LIG 1 3.271 -3.173 2.240 0.00 0.00 -0.150 OA ATOM 28 O LIG 1 3.433 -1.111 3.663 0.00 0.00 -0.150 OA BRANCH 26 29 ATOM 29 N LIG 1 4.658 -1.156 1.486 0.00 0.00 -0.216 N ATOM 30 H LIG 1 5.071 -0.326 1.905 0.00 0.00 +0.174 HD BRANCH 29 36 ATOM 31 C LIG 1 5.093 -1.915 -4.187 0.00 0.00 +0.044 C ATOM 32 C LIG 1 4.958 -1.711 -2.706 0.00 0.00 -0.050 A ATOM 33 C LIG 1 5.018 -0.423 -2.155 0.00 0.00 +0.008 A ATOM 34 C LIG 1 4.920 -0.220 -0.767 0.00 0.00 -0.028 A ATOM 35 C LIG 1 5.006 1.183 -0.231 0.00 0.00 +0.046 C ATOM 36 C LIG 1 4.758 -1.334 0.075 0.00 0.00 +0.051 A ATOM 37 C LIG 1 4.739 -2.621 -0.469 0.00 0.00 +0.025 A ATOM 38 C LIG 1 4.836 -2.808 -1.850 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 6