REMARK Name = BDB011308 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.033 0.360 -1.175 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.286 0.098 -0.017 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.020 -0.002 -0.400 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.338 -0.278 0.229 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.211 -0.276 -0.993 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.469 -0.071 -2.183 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.828 -0.105 -3.347 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.111 0.122 -1.756 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.161 0.371 -2.263 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.568 -0.581 -0.948 0.00 0.00 +0.057 A ATOM 11 C LIG 1 -4.549 0.129 -1.782 0.00 0.00 -0.022 A ATOM 12 C LIG 1 -4.196 1.383 -2.536 0.00 0.00 +0.046 C ATOM 13 C LIG 1 -5.840 -0.254 -1.764 0.00 0.00 +0.075 A ATOM 14 C LIG 1 -6.317 -1.359 -0.900 0.00 0.00 +0.251 A ATOM 15 O LIG 1 -7.494 -1.702 -0.955 0.00 0.00 -0.268 OA ATOM 16 N LIG 1 -5.363 -1.906 -0.053 0.00 0.00 -0.316 N ATOM 17 C LIG 1 -5.751 -2.984 0.841 0.00 0.00 +0.152 C ATOM 18 C LIG 1 -4.033 -1.525 -0.103 0.00 0.00 +0.112 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.792 0.766 1.234 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.234 0.369 2.508 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.674 1.315 3.438 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.683 2.666 3.102 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.221 3.828 4.250 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.259 3.081 1.843 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.820 2.136 0.912 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 6.150 1.024 -1.302 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.754 -0.247 -1.135 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 4.421 -0.447 -1.102 0.00 0.00 +0.230 A ATOM 29 C LIG 1 3.481 0.567 -1.209 0.00 0.00 +0.078 A ATOM 30 C LIG 1 4.017 1.826 -1.384 0.00 0.00 +0.131 A ATOM 31 N LIG 1 5.339 2.083 -1.426 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 8.327 0.177 -1.274 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.494 1.325 -1.344 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 3.947 -1.736 -0.916 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 4.967 -2.728 -0.949 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.847 -0.047 1.329 0.00 0.00 +0.081 C ATOM 37 C LIG 1 1.339 -1.282 2.074 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.697 1.227 2.156 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6