REMARK Name = BDB008280 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.648 0.515 0.807 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.328 0.688 0.979 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.523 -0.262 0.558 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.081 -1.419 -0.070 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -1.290 -1.610 -0.236 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -2.171 -0.637 0.236 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.804 -2.837 -0.858 0.00 0.00 +0.056 A ATOM 8 N LIG 1 -2.116 -2.964 -2.232 0.00 0.00 -0.296 N ATOM 9 C LIG 1 -2.634 -4.148 -2.770 0.00 0.00 +0.138 A ATOM 10 N LIG 1 -2.869 -4.046 -4.058 0.00 0.00 -0.233 NA ATOM 11 C LIG 1 -2.495 -2.775 -4.402 0.00 0.00 +0.060 A ATOM 12 C LIG 1 -2.626 -2.316 -5.805 0.00 0.00 +0.067 C ATOM 13 C LIG 1 -2.833 -5.251 -1.894 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -2.527 -5.138 -0.591 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -2.017 -2.080 -3.302 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -1.499 -0.691 -3.230 0.00 0.00 +0.066 C ATOM 17 C LIG 1 -2.004 -3.900 -0.046 0.00 0.00 +0.027 A ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.248 2.805 1.520 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.562 1.479 1.252 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.534 1.215 1.278 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.223 3.380 1.168 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.409 3.525 2.258 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -4.450 3.968 1.231 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -2.054 4.340 4.111 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -2.966 4.701 3.032 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -3.773 5.185 3.421 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 1.901 -0.124 0.731 0.00 0.00 -0.265 N ATOM 28 H LIG 1 2.521 -0.802 0.301 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.539 0.847 1.473 0.00 0.00 +0.268 C ATOM 30 O LIG 1 2.039 1.707 2.185 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 4.034 0.747 1.375 0.00 0.00 +0.126 A ATOM 32 N LIG 1 4.517 -0.288 0.624 0.00 0.00 -0.247 NA ATOM 33 C LIG 1 5.869 -0.378 0.532 0.00 0.00 +0.157 A ATOM 34 C LIG 1 6.758 0.500 1.143 0.00 0.00 +0.138 A ATOM 35 C LIG 1 6.221 1.530 1.913 0.00 0.00 +0.049 A ATOM 36 C LIG 1 4.840 1.665 2.032 0.00 0.00 +0.036 A BRANCH 34 37 ATOM 37 O LIG 1 8.120 0.459 1.089 0.00 0.00 -0.494 OA ATOM 38 C LIG 1 8.696 -0.433 0.142 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 7