REMARK Name = BDB048538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.910 -1.778 0.293 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.326 -1.921 0.315 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -2.923 -3.072 0.835 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -2.111 -4.096 1.333 0.00 0.00 +0.128 A ATOM 5 C LIG 1 -0.716 -3.976 1.317 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -0.125 -2.821 0.799 0.00 0.00 +0.027 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 2.347 0.400 0.251 0.00 0.00 -0.327 N ATOM 8 C LIG 1 2.126 -0.666 -0.759 0.00 0.00 +0.124 C ATOM 9 C LIG 1 0.667 -0.684 -1.272 0.00 0.00 +0.124 C ATOM 10 N LIG 1 -0.370 -0.585 -0.218 0.00 0.00 -0.325 N ATOM 11 C LIG 1 -0.074 0.444 0.812 0.00 0.00 +0.124 C ATOM 12 C LIG 1 1.365 0.353 1.357 0.00 0.00 +0.124 C BRANCH 7 16 ATOM 13 C LIG 1 6.459 0.973 1.155 0.00 0.00 +0.120 A ATOM 14 C LIG 1 5.968 1.190 -0.128 0.00 0.00 +0.047 A ATOM 15 C LIG 1 4.607 0.994 -0.402 0.00 0.00 +0.027 A ATOM 16 C LIG 1 3.701 0.573 0.586 0.00 0.00 +0.030 A ATOM 17 C LIG 1 4.214 0.376 1.874 0.00 0.00 +0.027 A ATOM 18 C LIG 1 5.574 0.568 2.152 0.00 0.00 +0.047 A BRANCH 13 20 ATOM 19 C LIG 1 8.690 1.550 0.579 0.00 0.00 +0.277 C ATOM 20 O LIG 1 7.755 1.123 1.562 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 2 21 ATOM 21 N LIG 1 -3.053 -0.843 -0.237 0.00 0.00 -0.280 N ATOM 22 H LIG 1 -2.442 -0.106 -0.584 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 -4.415 -0.704 -0.366 0.00 0.00 +0.250 C ATOM 24 O LIG 1 -5.273 -1.510 -0.027 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 -4.859 0.528 -1.066 0.00 0.00 +0.056 A ATOM 26 C LIG 1 -4.452 1.826 -0.708 0.00 0.00 +0.059 A ATOM 27 CL LIG 1 -3.421 2.091 0.663 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 -4.914 2.938 -1.441 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -4.512 4.347 -1.102 0.00 0.00 +0.048 C ATOM 30 C LIG 1 -5.795 2.716 -2.507 0.00 0.00 +0.128 A ATOM 31 F LIG 1 -6.257 3.752 -3.221 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -6.220 1.437 -2.852 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -5.756 0.342 -2.130 0.00 0.00 +0.017 A ENDBRANCH 23 25 ENDBRANCH 2 21 BRANCH 4 34 ATOM 34 N LIG 1 -2.723 -5.314 1.880 0.00 0.00 +0.056 N ATOM 35 O LIG 1 -3.954 -5.428 1.815 0.00 0.00 -0.126 OA ATOM 36 O LIG 1 -1.966 -6.162 2.376 0.00 0.00 -0.126 OA ENDBRANCH 4 34 TORSDOF 6