REMARK Name = BDB001480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.839 -0.213 0.120 0.00 0.00 +0.220 A ATOM 2 N LIG 1 -2.019 -0.842 0.253 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -3.099 -0.063 0.421 0.00 0.00 +0.097 A ATOM 4 C LIG 1 -4.395 -0.706 0.522 0.00 0.00 +0.092 A ATOM 5 N LIG 1 -4.688 -2.027 0.678 0.00 0.00 -0.264 N ATOM 6 C LIG 1 -3.769 -3.129 0.848 0.00 0.00 +0.173 C ATOM 7 N LIG 1 -6.012 -2.281 0.667 0.00 0.00 -0.166 NA ATOM 8 C LIG 1 -6.594 -1.076 0.471 0.00 0.00 +0.151 A ATOM 9 C LIG 1 -5.611 -0.040 0.444 0.00 0.00 +0.018 A ATOM 10 C LIG 1 -5.678 1.471 0.274 0.00 0.00 -0.001 C ATOM 11 C LIG 1 -4.312 2.124 0.728 0.00 0.00 +0.050 C ATOM 12 C LIG 1 -6.770 2.123 1.143 0.00 0.00 +0.016 C ATOM 13 C LIG 1 -5.924 1.818 -1.208 0.00 0.00 +0.016 C ATOM 14 C LIG 1 -3.072 1.316 0.456 0.00 0.00 -0.001 A ATOM 15 C LIG 1 -1.821 1.861 0.331 0.00 0.00 +0.120 A ATOM 16 N LIG 1 -0.709 1.123 0.158 0.00 0.00 -0.222 NA ENDROOT BRANCH 8 17 ATOM 17 C LIG 1 -8.055 -1.005 0.288 0.00 0.00 +0.262 C ATOM 18 O LIG 1 -8.671 -0.029 -0.123 0.00 0.00 -0.269 OA ATOM 19 N LIG 1 -8.706 -2.175 0.580 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -8.126 -2.996 0.719 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 -9.669 -2.269 0.299 0.00 0.00 +0.145 HD ENDBRANCH 8 17 BRANCH 1 22 ATOM 22 N LIG 1 0.254 -1.056 -0.058 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -0.067 -2.011 -0.080 0.00 0.00 +0.155 HD BRANCH 22 27 ATOM 24 C LIG 1 4.452 -0.562 -0.653 0.00 0.00 +0.030 A ATOM 25 C LIG 1 3.838 -1.820 -0.600 0.00 0.00 +0.025 A ATOM 26 C LIG 1 2.456 -1.962 -0.405 0.00 0.00 +0.025 A ATOM 27 C LIG 1 1.621 -0.849 -0.263 0.00 0.00 +0.034 A ATOM 28 C LIG 1 2.223 0.407 -0.326 0.00 0.00 +0.025 A ATOM 29 C LIG 1 3.608 0.547 -0.525 0.00 0.00 +0.025 A BRANCH 24 34 ATOM 30 C LIG 1 8.981 0.924 0.509 0.00 0.00 +0.105 C ATOM 31 N LIG 1 8.754 0.065 -0.651 0.00 0.00 -0.302 NA ATOM 32 C LIG 1 8.141 -1.224 -0.263 0.00 0.00 +0.103 C ATOM 33 C LIG 1 6.652 -1.163 0.163 0.00 0.00 +0.120 C ATOM 34 N LIG 1 5.836 -0.467 -0.861 0.00 0.00 -0.327 N ATOM 35 C LIG 1 6.391 0.844 -1.253 0.00 0.00 +0.120 C ATOM 36 C LIG 1 7.881 0.717 -1.653 0.00 0.00 +0.103 C ENDBRANCH 24 34 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 4