REMARK Name = BDB016408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.764 0.350 -0.771 0.00 0.00 -0.014 A ATOM 2 C LIG 1 1.377 0.462 -0.590 0.00 0.00 +0.032 A ATOM 3 C LIG 1 0.778 1.654 -0.138 0.00 0.00 +0.038 A ATOM 4 N LIG 1 -0.628 1.722 0.049 0.00 0.00 -0.298 N ATOM 5 C LIG 1 -1.183 3.072 0.273 0.00 0.00 +0.111 C ATOM 6 C LIG 1 -0.338 3.833 1.282 0.00 0.00 +0.024 C ATOM 7 C LIG 1 1.060 4.028 0.717 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.622 2.733 0.190 0.00 0.00 -0.026 A ATOM 9 C LIG 1 3.009 2.632 -0.004 0.00 0.00 +0.006 A ATOM 10 C LIG 1 3.574 1.451 -0.484 0.00 0.00 +0.009 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.585 0.929 -0.676 0.00 0.00 +0.057 A ATOM 12 C LIG 1 -2.526 0.138 0.062 0.00 0.00 +0.070 A ATOM 13 N LIG 1 -2.427 0.237 1.458 0.00 0.00 -0.338 N ATOM 14 H LIG 1 -1.485 0.571 1.685 0.00 0.00 +0.146 HD ATOM 15 C LIG 1 -2.898 -0.805 2.350 0.00 0.00 +0.076 C ATOM 16 C LIG 1 -4.405 -0.891 2.310 0.00 0.00 +0.118 C ATOM 17 C LIG 1 -4.948 -1.633 1.132 0.00 0.00 +0.219 C ATOM 18 N LIG 1 -4.516 -1.397 -0.129 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -5.063 -1.930 -0.794 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -5.869 -2.444 1.283 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -2.150 -2.123 2.167 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -3.490 -0.591 -0.659 0.00 0.00 +0.056 A ATOM 23 C LIG 1 -3.452 -0.571 -2.070 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -2.512 0.179 -2.774 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -1.582 0.935 -2.079 0.00 0.00 +0.025 A ENDBRANCH 4 11 BRANCH 1 27 ATOM 26 C LIG 1 4.288 -1.552 -0.562 0.00 0.00 +0.077 C ATOM 27 C LIG 1 3.343 -0.909 -1.273 0.00 0.00 +0.013 C BRANCH 26 29 ATOM 28 C LIG 1 5.536 -3.615 0.075 0.00 0.00 +0.125 C ATOM 29 N LIG 1 4.958 -2.711 -0.891 0.00 0.00 -0.352 N ATOM 30 H LIG 1 4.520 -3.167 -1.707 0.00 0.00 +0.145 HD ENDBRANCH 26 29 BRANCH 27 31 ATOM 31 C LIG 1 2.873 -1.462 -2.580 0.00 0.00 +0.111 C ATOM 32 N LIG 1 3.114 -2.651 -3.034 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 2.667 -2.759 -3.952 0.00 0.00 +0.186 HD ENDBRANCH 27 31 ENDBRANCH 1 27 TORSDOF 4