REMARK Name = BDB038622 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.207 0.775 0.239 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.934 0.239 0.475 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.863 0.585 -0.341 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.020 1.479 -1.334 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.223 2.057 -1.557 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.332 1.709 -0.792 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.603 -0.021 -0.158 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.540 0.275 -0.900 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.746 1.084 -1.787 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.597 -0.626 -0.417 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.064 -1.437 0.579 0.00 0.00 -0.018 A ATOM 12 C LIG 1 1.850 -2.386 1.207 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.188 -2.504 0.809 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.728 -1.684 -0.210 0.00 0.00 -0.033 A ATOM 15 C LIG 1 2.914 -0.722 -0.828 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.369 -1.092 0.796 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.178 -1.817 -0.612 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 5.974 -0.741 -0.027 0.00 0.00 -0.311 NA ATOM 19 H LIG 1 5.857 -0.757 0.985 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.387 -0.882 -0.366 0.00 0.00 +0.088 C BRANCH 20 21 ATOM 21 C LIG 1 8.154 0.264 0.188 0.00 0.00 -0.016 C ATOM 22 C LIG 1 8.353 0.723 1.688 0.00 0.00 +0.011 C ATOM 23 C LIG 1 9.217 1.761 0.892 0.00 0.00 -0.009 C ATOM 24 C LIG 1 9.707 0.529 0.058 0.00 0.00 +0.011 C ATOM 25 C LIG 1 8.017 1.811 -0.114 0.00 0.00 +0.011 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -5.736 -1.006 1.224 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -5.379 0.354 1.038 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -6.174 1.337 1.662 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -7.277 0.991 2.449 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -7.609 -0.350 2.639 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -6.837 -1.343 2.032 0.00 0.00 +0.031 A BRANCH 26 34 ATOM 32 C LIG 1 -5.597 -1.816 -1.804 0.00 0.00 +0.152 C ATOM 33 N LIG 1 -4.902 -2.424 -0.702 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -4.974 -2.104 0.632 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -4.200 -2.942 1.298 0.00 0.00 -0.129 NA ATOM 36 N LIG 1 -3.595 -3.785 0.397 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 -4.028 -3.464 -0.798 0.00 0.00 +0.225 A ENDBRANCH 26 34 BRANCH 30 38 ATOM 38 C LIG 1 -8.735 -0.707 3.451 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.653 -0.991 4.101 0.00 0.00 -0.191 NA ENDBRANCH 30 38 ENDBRANCH 1 27 BRANCH 5 40 ATOM 40 C LIG 1 -3.342 3.062 -2.678 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -2.257 4.095 -2.880 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -3.599 4.519 -2.363 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 9