REMARK Name = BDB027427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.370 -1.272 1.465 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.494 -0.479 1.179 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.725 -1.124 0.943 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.816 -2.517 0.971 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.734 -3.287 1.228 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.561 -2.658 1.469 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.075 -3.252 0.728 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -5.329 -2.733 1.100 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -6.499 -3.453 0.859 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -7.675 -2.928 1.229 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.451 -4.698 0.249 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.579 -5.384 0.021 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.232 -5.243 -0.124 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.055 -4.525 0.117 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 3.182 -0.159 0.698 0.00 0.00 +0.058 C ATOM 16 C LIG 1 1.708 -0.679 0.457 0.00 0.00 +0.131 C ATOM 17 N LIG 1 0.879 -0.671 1.694 0.00 0.00 -0.326 N ATOM 18 C LIG 1 1.610 -1.141 2.874 0.00 0.00 +0.105 C ATOM 19 C LIG 1 2.667 -0.092 3.228 0.00 0.00 +0.021 C ATOM 20 C LIG 1 3.191 0.680 2.003 0.00 0.00 +0.030 C BRANCH 15 26 ATOM 21 C LIG 1 5.026 3.963 -1.654 0.00 0.00 +0.065 C ATOM 22 C LIG 1 4.539 2.545 -1.690 0.00 0.00 +0.039 A ATOM 23 N LIG 1 4.506 1.933 -2.894 0.00 0.00 -0.260 NA ATOM 24 C LIG 1 4.072 0.659 -2.927 0.00 0.00 +0.111 A ATOM 25 C LIG 1 3.651 -0.039 -1.806 0.00 0.00 +0.025 A ATOM 26 C LIG 1 3.668 0.593 -0.551 0.00 0.00 -0.023 A ATOM 27 C LIG 1 4.134 1.915 -0.513 0.00 0.00 +0.028 A ENDBRANCH 15 26 BRANCH 15 28 ATOM 28 N LIG 1 4.111 -1.292 0.948 0.00 0.00 -0.320 NA ATOM 29 H LIG 1 5.057 -0.918 1.040 0.00 0.00 +0.119 HD ATOM 30 H LIG 1 4.135 -1.904 0.135 0.00 0.00 +0.119 HD ENDBRANCH 15 28 ENDBRANCH 1 17 BRANCH 2 31 ATOM 31 C LIG 1 -1.415 1.034 1.229 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 -1.948 1.685 0.042 0.00 0.00 -0.310 N ATOM 33 C LIG 1 -1.239 2.099 -1.053 0.00 0.00 +0.166 A ATOM 34 C LIG 1 -2.178 2.703 -1.875 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -1.712 3.210 -3.100 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -0.394 3.111 -3.383 0.00 0.00 -0.219 NA ATOM 37 C LIG 1 0.411 2.508 -2.481 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -3.424 2.708 -1.281 0.00 0.00 -0.231 NA ATOM 39 N LIG 1 0.077 1.970 -1.290 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -3.240 2.117 -0.119 0.00 0.00 +0.202 A BRANCH 35 41 ATOM 41 N LIG 1 -2.537 3.837 -4.027 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -2.017 4.450 -4.640 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -3.399 4.187 -3.624 0.00 0.00 +0.144 HD ENDBRANCH 35 41 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 7