REMARK Name = BDB005884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.540 -1.661 -2.094 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -1.852 -0.833 -1.170 0.00 0.00 +0.116 A ATOM 3 N LIG 1 -1.672 0.531 -1.234 0.00 0.00 -0.212 NA ATOM 4 C LIG 1 -0.993 0.872 -0.169 0.00 0.00 +0.200 A ATOM 5 N LIG 1 -0.616 -0.251 0.542 0.00 0.00 -0.310 N ATOM 6 C LIG 1 -1.264 -1.344 -0.011 0.00 0.00 +0.098 A ATOM 7 C LIG 1 -1.376 -2.696 0.321 0.00 0.00 +0.099 A ATOM 8 N LIG 1 -2.017 -3.510 -0.544 0.00 0.00 -0.236 NA ATOM 9 CA LIG 1 -2.563 -3.008 -1.692 0.00 0.00 +0.171 A ENDROOT BRANCH 4 10 ATOM 10 N LIG 1 -0.618 2.130 0.194 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -0.607 3.123 -0.902 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -0.422 4.529 -0.312 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -0.122 5.365 -1.544 0.00 0.00 +0.033 C ATOM 14 C LIG 1 0.715 4.438 -2.433 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -1.567 4.968 0.414 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -2.217 3.868 1.086 0.00 0.00 +0.179 C ATOM 17 C LIG 1 0.591 3.028 -1.836 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -1.281 2.680 1.416 0.00 0.00 +0.136 C ENDBRANCH 4 10 BRANCH 7 19 ATOM 19 C LIG 1 -0.903 -3.326 1.542 0.00 0.00 +0.022 A ATOM 20 C LIG 1 -1.439 -3.012 2.798 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -0.958 -3.650 3.938 0.00 0.00 +0.060 A ATOM 22 CL LIG 1 -1.584 -3.255 5.485 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 0.042 -4.598 3.794 0.00 0.00 +0.130 A ATOM 24 N LIG 1 0.576 -4.948 2.601 0.00 0.00 -0.261 NA ATOM 25 C LIG 1 0.075 -4.321 1.507 0.00 0.00 +0.120 A ENDBRANCH 7 19 BRANCH 1 27 ATOM 26 C LIG 1 -4.526 -0.826 -3.084 0.00 0.00 +0.129 C ATOM 27 N LIG 1 -3.128 -1.216 -3.308 0.00 0.00 -0.332 N ATOM 28 C LIG 1 -2.352 -0.192 -4.015 0.00 0.00 +0.129 C ENDBRANCH 1 27 BRANCH 9 29 ATOM 29 C LIG 1 -3.213 -4.046 -2.552 0.00 0.00 +0.357 C ATOM 30 O LIG 1 -4.295 -4.001 -3.110 0.00 0.00 -0.243 OA BRANCH 29 31 ATOM 31 OXT LIG 1 -2.442 -5.154 -2.645 0.00 0.00 -0.476 OA ATOM 32 HXT LIG 1 -2.977 -5.760 -3.196 0.00 0.00 +0.295 HD ENDBRANCH 29 31 ENDBRANCH 9 29 BRANCH 5 33 ATOM 33 C LIG 1 0.384 -0.267 1.598 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 1.730 -0.907 1.200 0.00 0.00 +0.009 C ATOM 35 C LIG 1 2.569 -1.146 2.473 0.00 0.00 +0.005 C ATOM 36 C LIG 1 4.062 -1.161 2.175 0.00 0.00 +0.003 C ATOM 37 C LIG 1 4.538 0.202 1.643 0.00 0.00 -0.014 C ATOM 38 C LIG 1 5.849 0.037 0.873 0.00 0.00 +0.007 C ATOM 39 C LIG 1 3.469 0.907 0.787 0.00 0.00 +0.003 C ATOM 40 C LIG 1 2.503 -0.084 0.148 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 7