REMARK Name = BDB060811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.514 -0.263 0.488 0.00 0.00 +0.103 C ATOM 2 C LIG 1 0.102 1.130 1.021 0.00 0.00 +0.135 C ATOM 3 C LIG 1 0.992 2.323 0.757 0.00 0.00 +0.003 A ATOM 4 C LIG 1 1.458 2.840 1.968 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.302 3.928 2.040 0.00 0.00 +0.023 A ATOM 6 C LIG 1 2.685 4.525 0.838 0.00 0.00 +0.002 A ATOM 7 C LIG 1 2.213 4.031 -0.390 0.00 0.00 +0.000 A ATOM 8 N LIG 1 0.948 2.116 3.032 0.00 0.00 -0.283 N ATOM 9 H LIG 1 1.128 2.291 4.009 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 1.355 2.927 -0.438 0.00 0.00 +0.008 A ATOM 11 C LIG 1 0.128 1.084 2.598 0.00 0.00 +0.243 C ATOM 12 O LIG 1 -0.453 0.291 3.325 0.00 0.00 -0.273 OA ATOM 13 N LIG 1 -1.292 1.383 0.581 0.00 0.00 -0.291 NA ATOM 14 H LIG 1 -1.276 1.833 -0.334 0.00 0.00 +0.124 HD ATOM 15 C LIG 1 -1.901 0.042 0.413 0.00 0.00 +0.093 C ATOM 16 C LIG 1 -0.757 -0.767 -0.245 0.00 0.00 +0.053 C ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 5.141 -0.438 -1.774 0.00 0.00 +0.071 C ATOM 18 C LIG 1 3.708 -0.357 -1.401 0.00 0.00 +0.111 A ATOM 19 C LIG 1 3.103 -0.424 -0.121 0.00 0.00 +0.191 A ATOM 20 C LIG 1 1.750 -0.289 -0.363 0.00 0.00 +0.174 A ATOM 21 O LIG 1 1.572 -0.138 -1.706 0.00 0.00 -0.357 OA ATOM 22 N LIG 1 2.785 -0.184 -2.355 0.00 0.00 -0.081 NA BRANCH 19 23 ATOM 23 N LIG 1 3.737 -0.577 1.148 0.00 0.00 +0.062 N ATOM 24 O LIG 1 3.037 -0.420 2.155 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 4.944 -0.846 1.147 0.00 0.00 -0.126 OA ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 15 26 ATOM 26 C LIG 1 -3.225 0.158 -0.327 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -4.229 0.980 0.221 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -5.470 1.124 -0.401 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.736 0.441 -1.583 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.763 -0.385 -2.138 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.518 -0.528 -1.514 0.00 0.00 +0.005 A ENDBRANCH 15 26 BRANCH 16 32 ATOM 32 C LIG 1 -0.863 -2.282 -0.186 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -0.500 -3.039 -1.313 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -0.563 -4.433 -1.288 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -0.980 -5.092 -0.135 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.329 -4.356 0.995 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.266 -2.962 0.973 0.00 0.00 +0.004 A ENDBRANCH 16 32 TORSDOF 4