REMARK Name = BDB056424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.901 -0.461 -0.556 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -1.954 -0.865 -1.459 0.00 0.00 -0.334 N ATOM 3 H LIG 1 -1.047 -0.443 -1.586 0.00 0.00 +0.168 HD ATOM 4 C LIG 1 -2.428 -1.966 -2.122 0.00 0.00 +0.130 A ATOM 5 C LIG 1 -3.703 -2.141 -1.599 0.00 0.00 +0.182 A ATOM 6 N LIG 1 -4.542 -3.121 -2.000 0.00 0.00 -0.233 NA ATOM 7 C LIG 1 -4.044 -3.924 -2.970 0.00 0.00 +0.137 A ATOM 8 C LIG 1 -2.781 -3.824 -3.545 0.00 0.00 +0.103 A ATOM 9 CL LIG 1 -2.320 -4.947 -4.769 0.00 0.00 -0.078 Cl ATOM 10 C LIG 1 -1.913 -2.822 -3.104 0.00 0.00 +0.175 A ATOM 11 N LIG 1 -3.979 -1.213 -0.638 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -0.342 1.679 0.017 0.00 0.00 +0.068 C ATOM 13 C LIG 1 -1.667 1.604 0.679 0.00 0.00 +0.071 A ATOM 14 C LIG 1 -2.743 0.714 0.444 0.00 0.00 +0.058 A ATOM 15 C LIG 1 -3.721 1.087 1.335 0.00 0.00 +0.119 A ATOM 16 N LIG 1 -3.211 2.137 2.031 0.00 0.00 -0.274 N ATOM 17 C LIG 1 -3.864 2.882 3.080 0.00 0.00 +0.172 C ATOM 18 N LIG 1 -1.962 2.471 1.660 0.00 0.00 -0.176 NA ENDBRANCH 1 14 BRANCH 10 19 ATOM 19 O LIG 1 -0.664 -2.706 -3.699 0.00 0.00 -0.452 OA BRANCH 19 20 ATOM 20 C LIG 1 0.377 -2.297 -2.904 0.00 0.00 +0.129 A ATOM 21 C LIG 1 1.121 -1.200 -3.336 0.00 0.00 +0.047 A ATOM 22 C LIG 1 2.164 -0.718 -2.545 0.00 0.00 +0.016 A ATOM 23 C LIG 1 2.471 -1.341 -1.327 0.00 0.00 +0.037 A ATOM 24 C LIG 1 1.758 -2.480 -0.928 0.00 0.00 +0.016 A ATOM 25 C LIG 1 0.714 -2.963 -1.722 0.00 0.00 +0.047 A BRANCH 23 26 ATOM 26 C LIG 1 3.549 -0.751 -0.487 0.00 0.00 +0.244 C ATOM 27 N LIG 1 3.404 -0.909 0.875 0.00 0.00 -0.307 N ATOM 28 H LIG 1 2.520 -1.238 1.232 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 4.455 -0.116 -1.013 0.00 0.00 -0.270 OA BRANCH 27 30 ATOM 30 C LIG 1 4.200 -0.127 1.797 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 C LIG 1 3.482 1.152 2.144 0.00 0.00 -0.030 A ATOM 32 C LIG 1 3.729 2.322 1.412 0.00 0.00 +0.005 A ATOM 33 C LIG 1 3.035 3.498 1.697 0.00 0.00 +0.000 A ATOM 34 C LIG 1 2.075 3.513 2.707 0.00 0.00 +0.000 A ATOM 35 C LIG 1 1.812 2.353 3.434 0.00 0.00 +0.000 A ATOM 36 C LIG 1 2.512 1.178 3.157 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 10 19 TORSDOF 6