REMARK Name = BDB007003 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.472 1.509 0.194 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.598 1.595 1.077 0.00 0.00 -0.268 N ATOM 3 C LIG 1 -1.956 1.469 0.734 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -2.768 1.602 1.853 0.00 0.00 +0.070 A ATOM 5 N LIG 1 -4.114 1.524 1.845 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 -4.669 1.294 0.632 0.00 0.00 +0.115 A ATOM 7 C LIG 1 -3.944 1.158 -0.558 0.00 0.00 -0.023 A ATOM 8 C LIG 1 -1.954 1.881 3.097 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -2.221 0.838 4.184 0.00 0.00 +0.019 C ATOM 10 C LIG 1 -2.238 3.293 3.618 0.00 0.00 +0.019 C ATOM 11 C LIG 1 -2.545 1.246 -0.495 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -0.512 1.766 2.542 0.00 0.00 +0.126 C ATOM 13 O LIG 1 0.334 1.324 -1.016 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 1.861 1.678 0.847 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 5.383 3.338 -1.322 0.00 0.00 +0.025 C ATOM 16 C LIG 1 4.633 2.075 -1.753 0.00 0.00 +0.065 C ATOM 17 N LIG 1 5.413 0.900 -1.287 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 5.708 1.101 -0.329 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 4.517 -0.269 -1.194 0.00 0.00 +0.101 C ATOM 20 C LIG 1 3.377 -0.080 -0.137 0.00 0.00 +0.088 C ATOM 21 N LIG 1 3.022 1.353 0.011 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 3.159 2.104 -1.238 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 2.222 -1.063 -0.465 0.00 0.00 +0.128 C BRANCH 23 24 ATOM 24 N LIG 1 2.631 -2.462 -0.435 0.00 0.00 -0.300 N ATOM 25 C LIG 1 2.877 -3.138 0.756 0.00 0.00 +0.216 C ATOM 26 O LIG 1 2.985 -2.638 1.864 0.00 0.00 -0.276 OA ATOM 27 C LIG 1 2.917 -4.616 0.453 0.00 0.00 +0.097 C ATOM 28 C LIG 1 2.974 -4.658 -1.070 0.00 0.00 +0.028 C ATOM 29 C LIG 1 2.276 -3.380 -1.487 0.00 0.00 +0.108 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 30 ATOM 30 C LIG 1 -4.648 0.893 -1.863 0.00 0.00 +0.074 C BRANCH 30 31 ATOM 31 C LIG 1 -4.869 -0.573 -2.134 0.00 0.00 -0.008 A ATOM 32 C LIG 1 -6.057 -1.197 -1.734 0.00 0.00 +0.130 A ATOM 33 F LIG 1 -7.012 -0.479 -1.123 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -6.277 -2.551 -1.955 0.00 0.00 +0.077 A ATOM 35 C LIG 1 -5.289 -3.296 -2.583 0.00 0.00 +0.126 A ATOM 36 F LIG 1 -5.487 -4.602 -2.802 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -4.094 -2.708 -2.988 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -3.881 -1.347 -2.762 0.00 0.00 +0.009 A ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 6