REMARK Name = BDB035236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.357 -2.118 1.717 0.00 0.00 +0.086 C ATOM 2 C LIG 1 -4.533 -1.738 0.511 0.00 0.00 +0.111 A ATOM 3 N LIG 1 -4.351 -0.421 0.155 0.00 0.00 -0.284 N ATOM 4 C LIG 1 -3.770 -0.127 -1.088 0.00 0.00 +0.264 A ATOM 5 O LIG 1 -3.982 0.940 -1.661 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -2.954 -1.183 -1.730 0.00 0.00 +0.086 A ATOM 7 C LIG 1 -3.216 -2.475 -1.258 0.00 0.00 +0.080 A ATOM 8 C LIG 1 -2.665 -3.580 -1.907 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -1.864 -3.408 -3.026 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -1.560 -2.118 -3.458 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -2.038 -0.972 -2.788 0.00 0.00 +0.045 A ATOM 12 N LIG 1 -4.013 -2.727 -0.140 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -4.956 0.737 0.843 0.00 0.00 +0.178 C ATOM 14 C LIG 1 -6.470 0.839 0.632 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -7.114 0.131 -0.135 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -7.100 1.797 1.397 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -8.102 1.855 1.270 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -6.627 2.363 2.556 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -7.377 2.965 3.318 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -5.144 2.226 2.822 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -4.612 0.886 2.326 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 N LIG 1 -1.561 0.298 -3.212 0.00 0.00 -0.321 N ATOM 23 C LIG 1 -0.425 0.593 -4.084 0.00 0.00 +0.090 C ATOM 24 C LIG 1 0.928 0.147 -3.472 0.00 0.00 +0.107 C ATOM 25 N LIG 1 1.233 0.883 -2.223 0.00 0.00 -0.299 NA ATOM 26 C LIG 1 -0.008 1.134 -1.458 0.00 0.00 +0.107 C ATOM 27 C LIG 1 -0.773 2.070 -3.770 0.00 0.00 +0.047 C ATOM 28 C LIG 1 -1.189 1.454 -2.404 0.00 0.00 +0.090 C BRANCH 25 29 ATOM 29 C LIG 1 2.273 0.196 -1.443 0.00 0.00 +0.085 C BRANCH 29 30 ATOM 30 C LIG 1 2.777 1.043 -0.262 0.00 0.00 +0.022 C BRANCH 30 31 ATOM 31 C LIG 1 3.957 0.440 0.544 0.00 0.00 -0.027 C ATOM 32 C LIG 1 4.289 1.403 1.719 0.00 0.00 +0.010 C ATOM 33 C LIG 1 5.454 0.863 2.564 0.00 0.00 -0.010 C ATOM 34 C LIG 1 5.068 -0.510 3.135 0.00 0.00 +0.007 C ATOM 35 C LIG 1 4.768 -1.489 1.989 0.00 0.00 -0.010 C ATOM 36 C LIG 1 6.015 -1.627 1.101 0.00 0.00 +0.007 C ATOM 37 C LIG 1 6.403 -0.257 0.520 0.00 0.00 -0.010 C ATOM 38 C LIG 1 6.696 0.716 1.673 0.00 0.00 +0.007 C ATOM 39 C LIG 1 3.602 -0.945 1.143 0.00 0.00 +0.010 C ATOM 40 C LIG 1 5.234 0.285 -0.322 0.00 0.00 +0.010 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 11 22 TORSDOF 5