REMARK Name = BDB011899 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.655 -1.689 1.742 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.646 -1.874 0.379 0.00 0.00 -0.280 N ATOM 3 C LIG 1 0.620 -1.639 -0.332 0.00 0.00 +0.193 C ATOM 4 C LIG 1 0.330 -2.146 -1.717 0.00 0.00 -0.014 A ATOM 5 C LIG 1 -1.040 -2.405 -1.848 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -1.573 -2.851 -3.045 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.704 -3.050 -4.120 0.00 0.00 +0.000 A ATOM 8 C LIG 1 0.671 -2.804 -3.986 0.00 0.00 +0.000 A ATOM 9 C LIG 1 1.200 -2.348 -2.777 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -1.746 -2.119 -0.559 0.00 0.00 +0.144 C ATOM 11 O LIG 1 0.402 -1.785 2.379 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 0.860 -0.100 -0.343 0.00 0.00 +0.242 C ATOM 13 N LIG 1 2.183 0.239 -0.585 0.00 0.00 -0.283 N ATOM 14 H LIG 1 2.852 -0.519 -0.622 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 -0.069 0.694 -0.172 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 2.733 1.532 -0.739 0.00 0.00 +0.043 A ATOM 17 C LIG 1 4.135 1.646 -0.941 0.00 0.00 +0.021 A ATOM 18 C LIG 1 5.210 0.709 -1.023 0.00 0.00 +0.029 A ATOM 19 C LIG 1 6.375 1.409 -1.239 0.00 0.00 +0.086 A ATOM 20 N LIG 1 6.059 2.738 -1.286 0.00 0.00 -0.350 N ATOM 21 C LIG 1 7.013 3.806 -1.487 0.00 0.00 +0.149 C ATOM 22 C LIG 1 4.702 2.915 -1.111 0.00 0.00 +0.051 A ATOM 23 C LIG 1 3.932 4.086 -1.092 0.00 0.00 +0.026 A ATOM 24 C LIG 1 2.558 3.959 -0.895 0.00 0.00 +0.004 A ATOM 25 C LIG 1 1.968 2.707 -0.721 0.00 0.00 +0.024 A ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 26 ATOM 26 C LIG 1 -1.962 -1.322 2.486 0.00 0.00 +0.162 C BRANCH 26 28 ATOM 27 C LIG 1 -3.722 0.415 2.235 0.00 0.00 +0.230 C ATOM 28 N LIG 1 -2.733 -0.370 1.677 0.00 0.00 -0.302 N ATOM 29 H LIG 1 -2.172 0.124 0.986 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 -4.129 0.260 3.385 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 C LIG 1 -4.235 1.580 1.354 0.00 0.00 +0.137 C ATOM 32 C LIG 1 -4.238 1.304 -0.149 0.00 0.00 +0.034 C BRANCH 31 34 ATOM 33 C LIG 1 -2.159 2.934 1.409 0.00 0.00 +0.101 C ATOM 34 N LIG 1 -3.577 2.851 1.728 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 -3.698 2.975 2.736 0.00 0.00 +0.122 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 26 28 BRANCH 26 36 ATOM 36 C LIG 1 -2.763 -2.503 3.082 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -1.883 -3.395 3.967 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -3.517 -3.366 2.075 0.00 0.00 +0.009 C ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 7