REMARK Name = BDB019863 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.703 -0.139 -1.410 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.758 -0.988 -0.298 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.877 -0.981 0.541 0.00 0.00 -0.001 A ATOM 4 C LIG 1 -2.957 -0.143 0.234 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.924 0.707 -0.882 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.787 0.700 -1.701 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.915 -1.848 1.719 0.00 0.00 +0.049 A ATOM 8 N LIG 1 -2.141 -1.418 3.014 0.00 0.00 -0.350 N ATOM 9 C LIG 1 -2.339 -0.049 3.447 0.00 0.00 +0.149 C ATOM 10 C LIG 1 -2.113 -2.490 3.872 0.00 0.00 +0.086 A ATOM 11 C LIG 1 -1.852 -3.622 3.137 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.719 -3.220 1.788 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 15 ATOM 13 N LIG 1 1.685 -0.461 -1.747 0.00 0.00 -0.303 N ATOM 14 H LIG 1 1.748 -0.386 -0.742 0.00 0.00 +0.150 HD ATOM 15 C LIG 1 0.480 -0.104 -2.314 0.00 0.00 +0.245 C ATOM 16 O LIG 1 0.347 0.264 -3.475 0.00 0.00 -0.270 OA BRANCH 13 17 ATOM 17 C LIG 1 2.941 -0.303 -2.478 0.00 0.00 +0.125 C BRANCH 17 21 ATOM 18 C LIG 1 5.591 -2.385 1.313 0.00 0.00 +0.044 C ATOM 19 C LIG 1 5.401 -1.313 0.283 0.00 0.00 -0.047 A ATOM 20 C LIG 1 4.288 -1.327 -0.563 0.00 0.00 +0.028 A ATOM 21 C LIG 1 4.150 -0.339 -1.544 0.00 0.00 +0.062 A ATOM 22 N LIG 1 5.076 0.643 -1.700 0.00 0.00 -0.258 NA ATOM 23 C LIG 1 6.152 0.629 -0.884 0.00 0.00 +0.111 A ATOM 24 C LIG 1 6.359 -0.317 0.105 0.00 0.00 +0.023 A ENDBRANCH 17 21 BRANCH 17 25 ATOM 25 C LIG 1 3.009 -1.291 -3.627 0.00 0.00 +0.015 C ATOM 26 C LIG 1 2.896 -2.788 -3.432 0.00 0.00 +0.006 C ATOM 27 C LIG 1 4.184 -2.196 -3.935 0.00 0.00 +0.006 C ENDBRANCH 17 25 ENDBRANCH 13 17 ENDBRANCH 1 15 BRANCH 5 28 ATOM 28 C LIG 1 -4.074 1.648 -1.165 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 N LIG 1 -4.010 2.810 -0.302 0.00 0.00 -0.313 N ATOM 30 C LIG 1 -4.611 2.928 0.958 0.00 0.00 +0.204 A ATOM 31 N LIG 1 -5.437 2.146 1.556 0.00 0.00 -0.268 NA ATOM 32 H LIG 1 -5.658 1.355 0.955 0.00 0.00 +0.190 HD ATOM 33 N LIG 1 -4.117 4.134 1.462 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -4.579 4.723 2.694 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -3.281 4.731 0.533 0.00 0.00 +0.106 A ATOM 36 C LIG 1 -3.201 3.921 -0.531 0.00 0.00 +0.107 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7