REMARK Name = BDB035419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.775 0.023 0.640 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.309 0.362 1.449 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.407 0.563 2.645 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.475 0.465 0.560 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.783 0.771 0.888 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.727 0.809 -0.147 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.317 0.531 -1.475 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.981 0.219 -1.792 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.068 0.194 -0.742 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.397 -0.102 -0.755 0.00 0.00 +0.151 C ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 -3.798 -0.152 4.361 0.00 0.00 +0.065 C ATOM 12 C LIG 1 -3.588 -0.271 2.881 0.00 0.00 +0.041 A ATOM 13 N LIG 1 -2.338 -0.064 2.421 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 -2.090 -0.185 1.107 0.00 0.00 +0.129 A ATOM 15 C LIG 1 -3.119 -0.506 0.222 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -4.450 -0.702 0.660 0.00 0.00 -0.029 A ATOM 17 C LIG 1 -4.651 -0.583 2.042 0.00 0.00 +0.027 A BRANCH 16 18 ATOM 18 C LIG 1 -5.620 -1.037 -0.394 0.00 0.00 +0.066 C ATOM 19 C LIG 1 -7.069 -1.351 0.098 0.00 0.00 +0.095 C ATOM 20 C LIG 1 -6.691 -2.846 0.089 0.00 0.00 +0.251 C ATOM 21 F LIG 1 -7.665 -3.689 -0.317 0.00 0.00 -0.206 F ATOM 22 F LIG 1 -6.229 -3.324 1.266 0.00 0.00 -0.206 F ATOM 23 C LIG 1 -5.616 -2.501 -0.959 0.00 0.00 +0.095 C BRANCH 18 24 ATOM 24 C LIG 1 -5.623 0.059 -1.534 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -5.942 1.384 -1.419 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -6.360 2.093 -0.241 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -5.750 1.923 -2.654 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -5.330 0.992 -3.477 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -5.242 -0.183 -2.771 0.00 0.00 -0.134 NA ENDBRANCH 18 24 ENDBRANCH 16 18 ENDBRANCH 1 14 BRANCH 8 30 ATOM 30 C LIG 1 1.551 -0.077 -3.203 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.606 0.799 -3.642 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.561 -0.031 -4.112 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.991 -1.313 -3.319 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.177 1.125 0.146 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.000 -0.069 -0.044 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.689 -0.786 0.612 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.439 0.220 0.033 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.177 -1.042 -0.505 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.049 -0.090 -1.351 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.901 0.937 -1.267 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.922 0.736 1.376 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 7