REMARK Name = BDB004883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.799 -0.417 1.600 0.00 0.00 +0.104 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.495 0.277 2.003 0.00 0.00 -0.025 A ATOM 3 C LIG 1 0.706 0.059 1.299 0.00 0.00 +0.028 A ATOM 4 C LIG 1 1.896 0.705 1.665 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.874 1.598 2.735 0.00 0.00 +0.023 A ATOM 6 C LIG 1 0.688 1.837 3.433 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.489 1.183 3.071 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.046 0.415 0.898 0.00 0.00 -0.280 N ATOM 9 H LIG 1 2.913 -0.264 0.162 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 4.349 0.809 1.157 0.00 0.00 +0.266 C ATOM 11 O LIG 1 4.720 1.394 2.167 0.00 0.00 -0.268 OA BRANCH 10 12 ATOM 12 C LIG 1 5.286 0.423 0.127 0.00 0.00 +0.121 A ATOM 13 N LIG 1 5.016 0.305 -1.211 0.00 0.00 -0.272 N ATOM 14 H LIG 1 4.144 0.498 -1.691 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 6.062 -0.095 -1.950 0.00 0.00 -0.178 NA ATOM 16 C LIG 1 7.058 -0.153 -1.066 0.00 0.00 +0.067 A ATOM 17 C LIG 1 6.640 0.166 0.236 0.00 0.00 +0.057 A BRANCH 16 18 ATOM 18 C LIG 1 8.505 -0.551 -1.448 0.00 0.00 +0.040 C ATOM 19 C LIG 1 9.630 0.424 -1.210 0.00 0.00 +0.010 C ATOM 20 C LIG 1 9.172 0.139 -2.610 0.00 0.00 +0.010 C ENDBRANCH 16 18 ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 N LIG 1 -2.190 0.124 0.291 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -1.742 1.024 0.128 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.569 0.306 0.041 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -3.981 0.800 -1.216 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -5.365 0.979 -1.403 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -5.795 1.484 -2.649 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -4.877 1.786 -3.674 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -3.519 1.592 -3.485 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -6.232 0.666 -0.414 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -5.733 0.181 0.728 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -3.075 1.100 -2.265 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -4.445 -0.015 1.003 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -7.234 1.731 -2.982 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -7.576 2.139 -4.088 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -8.175 1.494 -2.026 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -9.150 1.605 -2.265 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -7.916 1.101 -1.126 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 1 38 ATOM 38 C LIG 1 -1.598 -1.943 1.538 0.00 0.00 +0.055 C BRANCH 38 39 ATOM 39 C LIG 1 -2.902 -2.729 1.440 0.00 0.00 +0.161 C BRANCH 39 41 ATOM 40 C LIG 1 -2.583 -4.661 2.794 0.00 0.00 +0.193 C ATOM 41 O LIG 1 -2.642 -4.137 1.474 0.00 0.00 -0.383 OA ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 1 38 TORSDOF 10