REMARK Name = BDB034256 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.245 0.043 0.598 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.343 0.634 1.471 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.573 1.425 2.365 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.015 0.123 1.117 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.150 -0.699 0.003 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -2.036 -1.312 -0.544 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.781 -1.088 0.042 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -0.668 -0.256 1.171 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -1.797 0.364 1.719 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -4.576 -0.748 -0.429 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -10.213 1.144 -1.433 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -9.180 0.993 -0.788 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -8.107 1.830 -0.964 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -8.216 2.501 -1.712 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.802 1.543 -0.632 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.878 2.097 -1.222 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -6.624 0.503 0.487 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -7.605 -0.643 0.261 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -9.025 -0.096 0.247 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 0.242 -1.742 -0.584 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 1.601 -1.508 -0.173 0.00 0.00 +0.190 C ATOM 22 C LIG 1 2.155 -0.199 -0.818 0.00 0.00 +0.097 C ATOM 23 C LIG 1 2.189 -0.372 -2.356 0.00 0.00 +0.022 C ATOM 24 C LIG 1 2.994 -1.592 -2.800 0.00 0.00 +0.002 C ATOM 25 C LIG 1 2.486 -2.869 -2.141 0.00 0.00 +0.004 C ATOM 26 C LIG 1 2.415 -2.737 -0.620 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 3.507 0.115 -0.306 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 3.467 0.582 1.102 0.00 0.00 +0.094 C ATOM 29 C LIG 1 4.477 1.695 0.725 0.00 0.00 +0.047 C ATOM 30 C LIG 1 3.948 1.474 -0.715 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 6.030 1.473 1.035 0.00 0.00 -0.042 A ATOM 32 C LIG 1 6.771 2.425 1.765 0.00 0.00 +0.004 A ATOM 33 C LIG 1 8.130 2.254 2.049 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.794 1.115 1.609 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.099 0.152 0.886 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.740 0.333 0.607 0.00 0.00 +0.004 A ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5