REMARK Name = BDB024390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.251 1.094 -1.789 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.716 2.424 -1.257 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -1.984 2.836 -0.883 0.00 0.00 +0.113 A ATOM 4 N LIG 1 -1.874 4.137 -0.496 0.00 0.00 -0.274 N ATOM 5 C LIG 1 -2.937 5.003 -0.046 0.00 0.00 +0.172 C ATOM 6 N LIG 1 -0.614 4.601 -0.546 0.00 0.00 -0.180 NA ATOM 7 C LIG 1 0.080 3.579 -1.049 0.00 0.00 +0.140 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 1.040 0.598 -1.078 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.963 0.668 0.307 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.160 1.138 0.703 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 1.972 0.146 -1.740 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.951 0.245 1.201 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.047 -0.394 0.765 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.972 -0.771 1.683 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.861 -0.543 3.050 0.00 0.00 +0.003 A ATOM 16 C LIG 1 2.708 0.109 3.482 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.744 0.508 2.552 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 4.884 -0.958 3.988 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.235 -1.020 3.715 0.00 0.00 +0.116 A ATOM 20 N LIG 1 6.844 -1.416 4.871 0.00 0.00 -0.274 N ATOM 21 C LIG 1 8.259 -1.605 5.087 0.00 0.00 +0.172 C ATOM 22 N LIG 1 5.984 -1.622 5.884 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 4.794 -1.340 5.346 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.333 0.100 -1.610 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.365 -0.198 -0.638 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -1.142 -1.071 -2.476 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -2.003 -3.348 -3.157 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -2.270 -2.117 -2.284 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -3.669 -1.579 -2.555 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.676 -1.748 -1.591 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.969 -1.267 -1.818 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.274 -0.614 -3.015 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.283 -0.448 -3.984 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -3.991 -0.929 -3.756 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.599 -0.119 -3.249 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.671 0.283 -3.435 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9