REMARK Name = BDB048200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.646 -0.464 0.077 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.644 -0.182 1.023 0.00 0.00 +0.252 C ATOM 3 O LIG 1 0.762 -0.428 2.224 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 6 ATOM 4 C LIG 1 5.183 0.092 1.447 0.00 0.00 +0.113 C ATOM 5 C LIG 1 3.808 0.439 0.873 0.00 0.00 +0.039 C ATOM 6 C LIG 1 2.974 -0.832 0.626 0.00 0.00 +0.091 C ATOM 7 C LIG 1 3.790 -1.861 -0.190 0.00 0.00 +0.103 C ATOM 8 N LIG 1 5.096 -2.169 0.410 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 4.950 -2.606 1.322 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 5.895 -0.947 0.575 0.00 0.00 +0.095 C BRANCH 4 11 ATOM 11 C LIG 1 6.024 1.347 1.555 0.00 0.00 +0.311 C ATOM 12 O LIG 1 6.892 1.683 0.762 0.00 0.00 -0.251 OA BRANCH 11 14 ATOM 13 C LIG 1 6.390 3.269 2.844 0.00 0.00 +0.280 C ATOM 14 O LIG 1 5.656 2.057 2.659 0.00 0.00 -0.468 OA ENDBRANCH 11 14 ENDBRANCH 4 11 ENDBRANCH 1 6 BRANCH 2 15 ATOM 15 C LIG 1 -0.607 0.472 0.628 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -1.848 -0.097 0.868 0.00 0.00 +0.135 A ATOM 17 N LIG 1 -2.976 0.559 0.530 0.00 0.00 -0.216 NA ATOM 18 C LIG 1 -2.882 1.807 0.024 0.00 0.00 +0.136 A ATOM 19 N LIG 1 -1.713 2.440 -0.186 0.00 0.00 -0.239 NA ATOM 20 C LIG 1 -0.598 1.762 0.148 0.00 0.00 +0.129 A BRANCH 18 21 ATOM 21 C LIG 1 -4.173 2.495 -0.412 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -4.496 2.052 -1.849 0.00 0.00 +0.019 C ATOM 23 C LIG 1 -5.341 2.106 0.515 0.00 0.00 +0.019 C ATOM 24 C LIG 1 -4.027 4.029 -0.374 0.00 0.00 +0.019 C ENDBRANCH 18 21 BRANCH 16 25 ATOM 25 N LIG 1 -1.944 -1.403 1.385 0.00 0.00 -0.321 N ATOM 26 H LIG 1 -1.278 -1.489 2.156 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.281 -1.837 1.802 0.00 0.00 +0.177 C BRANCH 27 28 ATOM 28 C LIG 1 -4.157 -2.418 0.741 0.00 0.00 +0.122 A ATOM 29 O LIG 1 -5.203 -3.184 1.178 0.00 0.00 -0.466 OA ATOM 30 C LIG 1 -5.872 -3.610 0.076 0.00 0.00 +0.195 A ATOM 31 C LIG 1 -5.276 -3.130 -1.066 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -4.170 -2.360 -0.638 0.00 0.00 +0.046 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 16 25 ENDBRANCH 2 15 BRANCH 1 33 ATOM 33 C LIG 1 1.497 -0.274 -1.380 0.00 0.00 +0.111 C BRANCH 33 34 ATOM 34 C LIG 1 1.123 -1.548 -2.165 0.00 0.00 +0.000 C ATOM 35 C LIG 1 1.146 -1.249 -3.666 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.245 -2.103 -1.773 0.00 0.00 +0.009 C ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 10