REMARK Name = BDB043018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.684 0.903 -0.579 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.638 2.252 -0.148 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -0.576 2.909 0.050 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -0.268 4.191 0.464 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.143 4.214 0.499 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.776 2.293 -0.158 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -1.755 1.042 -0.551 0.00 0.00 +0.124 A ATOM 8 N LIG 1 1.702 3.058 0.144 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -0.486 0.276 -0.790 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -1.226 5.295 0.800 0.00 0.00 +0.018 C ATOM 11 C LIG 1 -1.103 5.722 2.264 0.00 0.00 +0.012 C ATOM 12 C LIG 1 -1.048 6.499 -0.127 0.00 0.00 +0.012 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 1.952 0.339 -0.760 0.00 0.00 -0.323 N ATOM 14 H LIG 1 2.668 0.962 -0.371 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 2.276 -1.071 -0.574 0.00 0.00 +0.160 C BRANCH 15 21 ATOM 16 C LIG 1 6.421 -4.575 0.793 0.00 0.00 +0.047 C ATOM 17 C LIG 1 6.596 -3.473 -0.218 0.00 0.00 -0.008 A ATOM 18 C LIG 1 5.525 -2.576 -0.567 0.00 0.00 +0.141 A ATOM 19 N LIG 1 5.784 -1.589 -1.511 0.00 0.00 -0.306 N ATOM 20 C LIG 1 4.625 -0.876 -1.669 0.00 0.00 +0.117 A ATOM 21 C LIG 1 3.707 -1.451 -0.812 0.00 0.00 +0.077 A ATOM 22 C LIG 1 7.015 -1.420 -2.134 0.00 0.00 +0.093 A ATOM 23 C LIG 1 8.021 -2.249 -1.819 0.00 0.00 +0.018 A ATOM 24 N LIG 1 4.280 -2.511 -0.138 0.00 0.00 -0.231 NA ATOM 25 C LIG 1 7.790 -3.296 -0.835 0.00 0.00 +0.008 A ENDBRANCH 15 21 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 26 ATOM 26 N LIG 1 -2.990 0.469 -0.735 0.00 0.00 -0.329 N ATOM 27 H LIG 1 -3.727 1.102 -0.425 0.00 0.00 +0.147 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.275 -0.945 -0.592 0.00 0.00 +0.109 C BRANCH 28 29 ATOM 29 C LIG 1 -4.790 -1.205 -0.696 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -5.518 -0.776 0.601 0.00 0.00 +0.133 C ATOM 31 C LIG 1 -5.997 -1.974 1.447 0.00 0.00 +0.112 C ATOM 32 N LIG 1 -5.019 -3.057 1.516 0.00 0.00 -0.314 NA ATOM 33 H LIG 1 -4.179 -2.731 1.994 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 -4.676 -3.594 0.199 0.00 0.00 +0.081 C ATOM 35 C LIG 1 -5.062 -2.692 -0.979 0.00 0.00 +0.023 C BRANCH 30 36 ATOM 36 O LIG 1 -6.646 0.033 0.253 0.00 0.00 -0.390 OA ATOM 37 H LIG 1 -7.256 -0.509 -0.277 0.00 0.00 +0.210 HD ENDBRANCH 30 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 7 26 TORSDOF 8