REMARK Name = BDB017597 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.984 -1.452 -0.693 0.00 0.00 -0.325 N ATOM 2 C LIG 1 -1.104 -0.694 0.233 0.00 0.00 +0.120 C ATOM 3 C LIG 1 0.387 -0.921 -0.108 0.00 0.00 +0.103 C ATOM 4 N LIG 1 0.766 -0.461 -1.468 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 -0.370 -0.611 -2.412 0.00 0.00 +0.103 C ATOM 6 C LIG 1 -1.391 -1.703 -2.024 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -6.070 -0.158 -0.318 0.00 0.00 +0.033 A ATOM 8 C LIG 1 -5.319 0.129 -1.466 0.00 0.00 +0.063 A ATOM 9 C LIG 1 -3.987 -0.284 -1.614 0.00 0.00 +0.146 A ATOM 10 F LIG 1 -3.357 0.080 -2.743 0.00 0.00 -0.203 F ATOM 11 C LIG 1 -3.317 -1.011 -0.623 0.00 0.00 +0.066 A ATOM 12 C LIG 1 -4.055 -1.295 0.530 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -5.391 -0.882 0.674 0.00 0.00 +0.025 A BRANCH 7 14 ATOM 14 N LIG 1 -7.393 0.249 -0.171 0.00 0.00 -0.330 N BRANCH 14 16 ATOM 15 C LIG 1 -7.506 2.641 -0.812 0.00 0.00 +0.024 C ATOM 16 C LIG 1 -8.012 1.229 -1.076 0.00 0.00 +0.102 C ENDBRANCH 14 16 BRANCH 14 17 ATOM 17 C LIG 1 -8.255 -0.307 0.881 0.00 0.00 +0.102 C ATOM 18 C LIG 1 -8.238 0.560 2.130 0.00 0.00 +0.024 C ENDBRANCH 14 17 ENDBRANCH 7 14 ENDBRANCH 1 11 BRANCH 4 19 ATOM 19 C LIG 1 1.965 -1.159 -1.956 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 C LIG 1 3.203 -0.864 -1.136 0.00 0.00 -0.031 A ATOM 21 C LIG 1 3.664 0.452 -0.994 0.00 0.00 +0.031 A ATOM 22 C LIG 1 4.807 0.720 -0.236 0.00 0.00 +0.051 A ATOM 23 C LIG 1 5.535 -0.309 0.379 0.00 0.00 +0.020 A ATOM 24 C LIG 1 6.750 0.044 1.153 0.00 0.00 +0.045 A ATOM 25 N LIG 1 7.539 -0.971 1.692 0.00 0.00 -0.343 N ATOM 26 H LIG 1 7.510 -1.829 1.149 0.00 0.00 +0.146 HD ATOM 27 C LIG 1 8.867 -0.680 2.222 0.00 0.00 +0.102 C ATOM 28 C LIG 1 8.827 0.632 2.995 0.00 0.00 +0.023 C ATOM 29 C LIG 1 8.280 1.763 2.119 0.00 0.00 +0.044 C ATOM 30 C LIG 1 7.079 1.342 1.313 0.00 0.00 +0.038 A ATOM 31 C LIG 1 6.285 2.428 0.678 0.00 0.00 +0.254 A ATOM 32 O LIG 1 6.585 3.611 0.807 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 5.056 -1.621 0.247 0.00 0.00 +0.012 A ATOM 34 N LIG 1 5.212 2.048 -0.076 0.00 0.00 -0.322 N ATOM 35 H LIG 1 4.683 2.798 -0.499 0.00 0.00 +0.169 HD ATOM 36 C LIG 1 3.908 -1.896 -0.506 0.00 0.00 +0.005 A ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 6