REMARK Name = BDB034483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.195 2.093 0.738 0.00 0.00 -0.282 N ATOM 2 C LIG 1 1.183 2.303 0.725 0.00 0.00 +0.248 C ATOM 3 O LIG 1 1.711 3.393 0.517 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 2.088 1.168 0.995 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.173 0.115 0.083 0.00 0.00 +0.041 A ATOM 6 C LIG 1 3.022 -0.950 0.379 0.00 0.00 +0.074 A ATOM 7 C LIG 1 3.811 -0.974 1.544 0.00 0.00 +0.090 A ATOM 8 N LIG 1 4.682 -2.041 1.864 0.00 0.00 -0.229 NA ATOM 9 C LIG 1 4.766 -3.071 1.066 0.00 0.00 +0.142 A ATOM 10 C LIG 1 3.975 -3.108 -0.130 0.00 0.00 +0.106 A ATOM 11 C LIG 1 3.813 -4.025 -1.142 0.00 0.00 +0.142 A ATOM 12 N LIG 1 2.914 -3.568 -2.076 0.00 0.00 -0.243 NA ATOM 13 C LIG 1 2.526 -2.390 -1.631 0.00 0.00 +0.204 A ATOM 14 C LIG 1 3.735 0.112 2.419 0.00 0.00 +0.030 A ATOM 15 N LIG 1 3.139 -2.071 -0.451 0.00 0.00 -0.294 N ATOM 16 C LIG 1 2.880 1.185 2.148 0.00 0.00 +0.015 A BRANCH 9 17 ATOM 17 N LIG 1 5.633 -4.066 1.418 0.00 0.00 -0.341 N ATOM 18 H LIG 1 6.097 -4.534 0.650 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 6.277 -3.756 2.138 0.00 0.00 +0.144 HD ENDBRANCH 9 17 ENDBRANCH 2 4 BRANCH 1 21 ATOM 20 C LIG 1 -1.243 4.159 1.641 0.00 0.00 +0.036 C ATOM 21 C LIG 1 -1.050 3.262 0.409 0.00 0.00 +0.141 C BRANCH 21 22 ATOM 22 C LIG 1 -2.396 2.939 -0.240 0.00 0.00 +0.149 A ATOM 23 N LIG 1 -2.486 3.051 -1.583 0.00 0.00 -0.238 NA ATOM 24 C LIG 1 -3.670 2.741 -2.141 0.00 0.00 +0.114 A ATOM 25 C LIG 1 -4.766 2.338 -1.419 0.00 0.00 +0.039 A ATOM 26 C LIG 1 -4.585 2.264 -0.060 0.00 0.00 +0.114 A ATOM 27 N LIG 1 -3.421 2.549 0.555 0.00 0.00 -0.238 NA ENDBRANCH 21 22 ENDBRANCH 1 21 BRANCH 1 28 ATOM 28 C LIG 1 -0.826 0.895 1.321 0.00 0.00 +0.164 C BRANCH 28 29 ATOM 29 C LIG 1 -1.456 -0.060 0.320 0.00 0.00 +0.059 A ATOM 30 N LIG 1 -0.890 -0.195 -0.907 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 -1.485 -1.030 -1.790 0.00 0.00 +0.123 A ATOM 32 C LIG 1 -2.608 -1.788 -1.504 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -3.156 -1.668 -0.226 0.00 0.00 +0.016 A ATOM 34 C LIG 1 -2.574 -0.803 0.698 0.00 0.00 +0.025 A BRANCH 32 35 ATOM 35 C LIG 1 -3.224 -2.656 -2.555 0.00 0.00 +0.419 C ATOM 36 F LIG 1 -3.790 -3.786 -2.047 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -2.338 -3.076 -3.500 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -4.218 -2.017 -3.233 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 7