REMARK Name = BDB015194 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.499 1.718 0.307 0.00 0.00 +0.119 A ATOM 2 N LIG 1 0.252 2.692 -0.592 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 1.309 3.347 -1.118 0.00 0.00 +0.113 A ATOM 4 C LIG 1 2.625 3.084 -0.786 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.892 2.086 0.151 0.00 0.00 -0.013 A ATOM 6 C LIG 1 1.798 1.405 0.703 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.272 1.758 0.546 0.00 0.00 -0.016 A ATOM 8 C LIG 1 4.747 0.436 0.430 0.00 0.00 +0.036 A ATOM 9 C LIG 1 6.072 0.173 0.810 0.00 0.00 +0.070 A ATOM 10 C LIG 1 6.919 1.158 1.311 0.00 0.00 +0.089 A ATOM 11 N LIG 1 8.147 0.638 1.641 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 8.065 -0.643 1.358 0.00 0.00 +0.200 A ATOM 13 C LIG 1 6.449 2.472 1.427 0.00 0.00 +0.030 A ATOM 14 N LIG 1 6.852 -0.957 0.817 0.00 0.00 -0.325 N ATOM 15 C LIG 1 5.130 2.756 1.041 0.00 0.00 +0.011 A BRANCH 14 16 ATOM 16 C LIG 1 6.397 -2.302 0.442 0.00 0.00 +0.116 C ATOM 17 C LIG 1 5.936 -2.412 -1.027 0.00 0.00 +0.107 C ATOM 18 N LIG 1 6.614 -3.729 -1.098 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 6.010 -4.510 -0.837 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 7.506 -3.280 -0.002 0.00 0.00 +0.107 C ENDBRANCH 14 16 ENDBRANCH 5 7 BRANCH 1 21 ATOM 21 N LIG 1 -0.559 1.024 0.917 0.00 0.00 -0.327 N ATOM 22 H LIG 1 -0.379 0.021 0.854 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -1.895 1.303 0.371 0.00 0.00 +0.135 C BRANCH 23 24 ATOM 24 C LIG 1 -2.130 0.523 -0.937 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 O LIG 1 -2.050 -0.893 -0.675 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -2.952 -1.235 -0.858 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -3.474 0.862 -1.625 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -4.589 -0.058 -1.286 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.123 0.200 0.070 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.414 -0.529 0.383 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -7.220 -1.054 -0.641 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -8.419 -1.704 -0.323 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.831 -1.811 1.005 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.046 -1.275 2.023 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.760 -0.968 -2.071 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -6.845 -0.636 1.714 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.680 0.102 -2.269 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 8