REMARK Name = BDB047107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.204 -0.751 -0.469 0.00 0.00 +0.080 A ATOM 2 C LIG 1 1.104 -0.644 0.929 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.145 -0.577 1.554 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -1.316 -0.612 0.793 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -1.243 -0.712 -0.601 0.00 0.00 +0.068 A ATOM 6 C LIG 1 0.015 -0.782 -1.224 0.00 0.00 +0.044 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -2.421 -0.735 -1.394 0.00 0.00 -0.220 N ATOM 8 N LIG 1 -2.376 -0.785 -2.748 0.00 0.00 -0.060 NA ATOM 9 N LIG 1 -3.616 -0.757 -3.216 0.00 0.00 -0.133 NA ATOM 10 C LIG 1 -4.471 -0.710 -2.151 0.00 0.00 +0.100 A ATOM 11 C LIG 1 -3.733 -0.701 -0.988 0.00 0.00 +0.141 A BRANCH 10 12 ATOM 12 C LIG 1 -5.950 -0.662 -2.342 0.00 0.00 +0.165 C BRANCH 12 13 ATOM 13 N LIG 1 -6.601 0.607 -2.055 0.00 0.00 -0.293 N ATOM 14 H LIG 1 -6.326 1.365 -2.670 0.00 0.00 +0.151 HD BRANCH 13 15 ATOM 15 C LIG 1 -6.811 0.944 -0.774 0.00 0.00 +0.289 A ATOM 16 O LIG 1 -7.026 2.273 -0.547 0.00 0.00 -0.425 OA ATOM 17 C LIG 1 -7.210 2.349 0.803 0.00 0.00 +0.157 A ATOM 18 C LIG 1 -7.087 1.069 1.316 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -7.235 0.875 2.696 0.00 0.00 +0.031 A ATOM 20 C LIG 1 -7.501 1.998 3.495 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -7.618 3.277 2.934 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -7.473 3.485 1.558 0.00 0.00 +0.048 A ATOM 23 N LIG 1 -6.825 0.185 0.301 0.00 0.00 -0.195 NA ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 5 7 BRANCH 1 26 ATOM 24 N LIG 1 3.653 -0.699 -0.477 0.00 0.00 -0.281 N ATOM 25 H LIG 1 3.507 -0.556 0.520 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 2.502 -0.844 -1.226 0.00 0.00 +0.252 C ATOM 27 O LIG 1 2.461 -1.040 -2.436 0.00 0.00 -0.270 OA BRANCH 24 30 ATOM 28 C LIG 1 7.343 -0.630 -0.275 0.00 0.00 +0.061 A ATOM 29 C LIG 1 5.982 -0.585 0.065 0.00 0.00 +0.038 A ATOM 30 C LIG 1 4.991 -0.753 -0.910 0.00 0.00 +0.034 A ATOM 31 C LIG 1 5.378 -0.966 -2.234 0.00 0.00 +0.023 A ATOM 32 C LIG 1 6.732 -1.014 -2.581 0.00 0.00 +0.003 A ATOM 33 C LIG 1 7.715 -0.847 -1.606 0.00 0.00 +0.015 A BRANCH 28 34 ATOM 34 C LIG 1 8.339 -0.449 0.815 0.00 0.00 +0.339 C ATOM 35 O LIG 1 8.033 -0.255 1.981 0.00 0.00 -0.245 OA BRANCH 34 37 ATOM 36 C LIG 1 10.617 -0.386 1.326 0.00 0.00 +0.280 C ATOM 37 O LIG 1 9.604 -0.531 0.331 0.00 0.00 -0.464 OA ENDBRANCH 34 37 ENDBRANCH 28 34 ENDBRANCH 24 30 ENDBRANCH 1 26 BRANCH 2 38 ATOM 38 O LIG 1 2.228 -0.604 1.714 0.00 0.00 -0.506 OA ATOM 39 H LIG 1 1.963 -0.591 2.652 0.00 0.00 +0.292 HD ENDBRANCH 2 38 TORSDOF 9