REMARK Name = BDB003759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.449 0.086 0.613 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -2.646 -0.414 0.947 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -3.780 0.210 0.527 0.00 0.00 +0.163 A ATOM 4 N LIG 1 -5.020 -0.358 0.915 0.00 0.00 -0.326 N ATOM 5 C LIG 1 -5.967 -0.705 -0.069 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -6.476 0.260 -0.946 0.00 0.00 +0.063 A ATOM 7 C LIG 1 -6.166 1.704 -0.832 0.00 0.00 +0.261 A ATOM 8 N LIG 1 -4.866 2.170 -0.605 0.00 0.00 -0.307 N ATOM 9 C LIG 1 -4.656 3.604 -0.804 0.00 0.00 +0.152 C ATOM 10 O LIG 1 -7.101 2.477 -1.067 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -7.416 -0.096 -1.937 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -7.845 -1.411 -2.079 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -7.348 -2.381 -1.223 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -6.425 -2.031 -0.232 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -4.895 -1.254 2.069 0.00 0.00 +0.151 C ATOM 16 C LIG 1 -3.731 1.383 -0.225 0.00 0.00 +0.106 A ATOM 17 C LIG 1 -2.442 1.812 -0.501 0.00 0.00 +0.144 A ATOM 18 N LIG 1 -1.310 1.194 -0.112 0.00 0.00 -0.220 NA ENDROOT BRANCH 1 19 ATOM 19 N LIG 1 -0.358 -0.639 1.080 0.00 0.00 -0.284 N ATOM 20 H LIG 1 -0.691 -1.442 1.592 0.00 0.00 +0.155 HD BRANCH 19 24 ATOM 21 C LIG 1 3.889 -0.306 0.822 0.00 0.00 +0.030 A ATOM 22 C LIG 1 3.055 0.653 0.238 0.00 0.00 +0.025 A ATOM 23 C LIG 1 1.655 0.560 0.307 0.00 0.00 +0.025 A ATOM 24 C LIG 1 1.027 -0.490 0.975 0.00 0.00 +0.034 A ATOM 25 C LIG 1 1.855 -1.444 1.579 0.00 0.00 +0.025 A ATOM 26 C LIG 1 3.252 -1.350 1.506 0.00 0.00 +0.025 A BRANCH 21 31 ATOM 27 C LIG 1 8.218 -0.060 -1.474 0.00 0.00 +0.105 C ATOM 28 N LIG 1 8.153 -0.175 -0.019 0.00 0.00 -0.302 NA ATOM 29 C LIG 1 7.453 0.978 0.591 0.00 0.00 +0.103 C ATOM 30 C LIG 1 5.922 1.020 0.364 0.00 0.00 +0.120 C ATOM 31 N LIG 1 5.291 -0.248 0.784 0.00 0.00 -0.327 N ATOM 32 C LIG 1 5.932 -1.443 0.186 0.00 0.00 +0.120 C ATOM 33 C LIG 1 7.466 -1.416 0.400 0.00 0.00 +0.103 C ENDBRANCH 21 31 ENDBRANCH 19 24 ENDBRANCH 1 19 TORSDOF 3