REMARK Name = BDB011292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.520 0.095 -0.703 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.569 -0.300 0.251 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.647 -0.283 -0.368 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.063 -0.591 -0.031 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.687 -0.376 -1.374 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -1.749 -0.028 -2.370 0.00 0.00 +0.253 C ATOM 7 O LIG 1 -1.894 0.138 -3.569 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.486 0.041 -1.684 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.861 0.304 -1.913 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.069 -0.620 -1.613 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.862 0.193 -2.454 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.382 1.465 -3.102 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.211 -0.153 -2.679 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.791 -1.249 -2.046 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -6.025 -2.014 -1.181 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.731 -3.364 -0.378 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.682 -1.707 -0.964 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 1 19 ATOM 18 C LIG 1 3.836 -0.816 -0.309 0.00 0.00 +0.228 A ATOM 19 C LIG 1 2.952 0.237 -0.447 0.00 0.00 +0.078 A ATOM 20 C LIG 1 3.541 1.474 -0.346 0.00 0.00 +0.129 A ATOM 21 N LIG 1 4.855 1.668 -0.109 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 5.639 0.584 0.024 0.00 0.00 +0.220 A ATOM 23 N LIG 1 5.155 -0.665 -0.069 0.00 0.00 -0.179 NA BRANCH 22 24 ATOM 24 N LIG 1 6.995 0.761 0.300 0.00 0.00 -0.306 N ATOM 25 C LIG 1 7.833 -0.377 -0.041 0.00 0.00 +0.132 C ATOM 26 C LIG 1 7.511 2.079 -0.040 0.00 0.00 +0.132 C ENDBRANCH 22 24 BRANCH 18 28 ATOM 27 C LIG 1 4.309 -3.116 -0.316 0.00 0.00 +0.279 C ATOM 28 O LIG 1 3.317 -2.098 -0.396 0.00 0.00 -0.479 OA ENDBRANCH 18 28 ENDBRANCH 1 19 BRANCH 4 29 ATOM 29 C LIG 1 -2.679 0.321 1.017 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -2.629 1.722 0.895 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -3.222 2.545 1.856 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -3.881 1.983 2.951 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -3.947 0.593 3.079 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -3.353 -0.231 2.118 0.00 0.00 +0.007 A BRANCH 32 35 ATOM 35 C LIG 1 -4.490 2.826 3.937 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -4.981 3.507 4.739 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 4 29 BRANCH 2 37 ATOM 37 C LIG 1 0.872 -0.661 1.638 0.00 0.00 +0.081 C ATOM 38 C LIG 1 0.592 0.486 2.607 0.00 0.00 +0.030 C ATOM 39 C LIG 1 0.215 -1.966 2.087 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 7