REMARK Name = BDB028756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.758 -0.349 -0.037 0.00 0.00 -0.301 N ATOM 2 C LIG 1 -1.381 0.721 0.811 0.00 0.00 +0.123 C ATOM 3 C LIG 1 -0.824 2.113 0.413 0.00 0.00 +0.135 C ATOM 4 N LIG 1 0.641 2.171 0.441 0.00 0.00 -0.297 N ATOM 5 C LIG 1 1.358 3.363 0.564 0.00 0.00 +0.226 C ATOM 6 O LIG 1 2.551 3.432 0.267 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 1.309 1.057 -0.239 0.00 0.00 +0.130 C ATOM 8 C LIG 1 0.745 -0.345 0.110 0.00 0.00 +0.093 C ENDROOT BRANCH 1 10 ATOM 9 C LIG 1 -1.911 -2.449 -0.518 0.00 0.00 +0.066 A ATOM 10 C LIG 1 -1.268 -1.612 0.433 0.00 0.00 +0.143 A ATOM 11 N LIG 1 -1.092 -1.974 1.726 0.00 0.00 -0.237 NA ATOM 12 C LIG 1 -1.617 -3.164 2.103 0.00 0.00 +0.133 A ATOM 13 C LIG 1 -2.308 -4.015 1.255 0.00 0.00 +0.061 A ATOM 14 CL LIG 1 -2.959 -5.495 1.835 0.00 0.00 -0.082 Cl ATOM 15 C LIG 1 -2.469 -3.646 -0.074 0.00 0.00 +0.047 A BRANCH 9 16 ATOM 16 N LIG 1 -2.147 -2.005 -1.837 0.00 0.00 -0.355 N ATOM 17 H LIG 1 -2.135 -2.743 -2.531 0.00 0.00 +0.142 HD ATOM 18 H LIG 1 -1.514 -1.232 -2.049 0.00 0.00 +0.142 HD ENDBRANCH 9 16 ENDBRANCH 1 10 BRANCH 2 19 ATOM 19 C LIG 1 -2.906 0.755 0.695 0.00 0.00 -0.025 A ATOM 20 C LIG 1 -3.547 0.892 -0.548 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -4.941 0.923 -0.631 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -5.706 0.819 0.528 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -7.423 0.857 0.427 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -5.089 0.680 1.769 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -3.695 0.647 1.852 0.00 0.00 +0.007 A ENDBRANCH 2 19 BRANCH 5 26 ATOM 26 C LIG 1 0.610 4.557 1.101 0.00 0.00 +0.216 C BRANCH 26 27 ATOM 27 C LIG 1 1.462 5.776 1.243 0.00 0.00 +0.314 C ATOM 28 O LIG 1 1.602 6.659 0.412 0.00 0.00 -0.250 OA BRANCH 27 29 ATOM 29 O LIG 1 2.085 5.852 2.436 0.00 0.00 -0.480 OA ATOM 30 H LIG 1 2.643 6.654 2.360 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 5 26 BRANCH 8 31 ATOM 31 C LIG 1 1.383 -1.434 -0.799 0.00 0.00 +0.027 C BRANCH 31 32 ATOM 32 C LIG 1 2.917 -1.503 -0.776 0.00 0.00 -0.009 C ATOM 33 C LIG 1 3.612 -0.676 -1.862 0.00 0.00 +0.003 C ATOM 34 C LIG 1 5.006 -1.287 -1.984 0.00 0.00 +0.000 C ATOM 35 C LIG 1 4.898 -2.707 -1.432 0.00 0.00 +0.000 C ATOM 36 C LIG 1 3.425 -2.910 -1.107 0.00 0.00 +0.003 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 8