REMARK Name = BDB015994 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.683 2.193 0.002 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.616 1.374 -0.073 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.615 1.906 0.070 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.797 3.268 0.316 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.365 4.018 0.372 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.606 3.517 0.213 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.444 -0.390 -0.535 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.181 0.203 -0.373 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.022 1.591 -0.167 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.191 2.371 -0.128 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.455 1.799 -0.287 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.580 0.425 -0.491 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 6.112 -5.070 -0.569 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.305 -3.888 -0.752 0.00 0.00 -0.274 N ATOM 15 N LIG 1 4.100 -3.994 -1.339 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 3.642 -2.739 -1.336 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.550 -1.823 -0.752 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.621 -2.612 -0.383 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.092 3.889 0.523 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -2.467 5.126 0.037 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -3.753 5.325 0.451 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -4.584 6.475 0.189 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.247 4.304 1.172 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.234 3.434 1.223 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.729 1.043 -0.001 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.414 1.441 -0.642 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.424 -0.351 -0.318 0.00 0.00 +0.106 C BRANCH 27 28 ATOM 28 C LIG 1 -2.719 -1.188 -0.320 0.00 0.00 +0.006 C ATOM 29 C LIG 1 -3.352 -1.299 1.085 0.00 0.00 +0.007 C ATOM 30 C LIG 1 -2.958 -2.591 1.799 0.00 0.00 +0.031 C ATOM 31 C LIG 1 -3.405 -3.830 1.017 0.00 0.00 +0.115 C ATOM 32 C LIG 1 -3.462 -3.603 -0.497 0.00 0.00 +0.031 C ATOM 33 C LIG 1 -2.436 -2.570 -0.943 0.00 0.00 +0.007 C BRANCH 31 34 ATOM 34 O LIG 1 -4.699 -4.224 1.470 0.00 0.00 -0.392 OA ATOM 35 H LIG 1 -4.942 -5.034 0.991 0.00 0.00 +0.210 HD ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7