REMARK Name = BDB031380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.967 0.102 0.427 0.00 0.00 -0.324 N ATOM 2 C LIG 1 1.654 0.111 1.868 0.00 0.00 +0.120 C ATOM 3 C LIG 1 0.429 -0.781 2.174 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -0.806 -0.370 1.473 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 -0.503 0.154 0.120 0.00 0.00 +0.103 C ATOM 6 C LIG 1 0.862 -0.266 -0.476 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.889 0.418 -0.967 0.00 0.00 +0.129 A ATOM 8 N LIG 1 4.996 -0.224 -1.746 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 3.734 -0.315 -1.267 0.00 0.00 +0.235 A ATOM 10 F LIG 1 2.876 -0.981 -2.060 0.00 0.00 -0.182 F ATOM 11 C LIG 1 3.274 0.196 -0.033 0.00 0.00 +0.085 A ATOM 12 C LIG 1 4.257 0.852 0.724 0.00 0.00 +0.030 A ATOM 13 C LIG 1 5.571 0.967 0.267 0.00 0.00 +0.035 A BRANCH 7 15 ATOM 14 O LIG 1 7.817 -0.425 -2.084 0.00 0.00 -0.269 OA ATOM 15 C LIG 1 7.284 0.513 -1.503 0.00 0.00 +0.263 C ATOM 16 N LIG 1 7.932 1.721 -1.307 0.00 0.00 -0.305 N ATOM 17 H LIG 1 7.401 2.528 -1.006 0.00 0.00 +0.149 HD BRANCH 16 18 ATOM 18 C LIG 1 9.253 1.947 -1.882 0.00 0.00 +0.176 C BRANCH 18 19 ATOM 19 C LIG 1 10.371 1.098 -1.278 0.00 0.00 +0.358 C ATOM 20 F LIG 1 10.518 1.420 0.037 0.00 0.00 -0.208 F ATOM 21 F LIG 1 11.549 1.422 -1.877 0.00 0.00 -0.208 F ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 22 ATOM 22 C LIG 1 -1.767 -1.486 1.443 0.00 0.00 +0.122 C BRANCH 22 23 ATOM 23 C LIG 1 -3.174 -1.052 1.102 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -3.923 -1.762 0.159 0.00 0.00 +0.152 A ATOM 25 F LIG 1 -3.379 -2.818 -0.468 0.00 0.00 -0.203 F ATOM 26 C LIG 1 -5.232 -1.390 -0.147 0.00 0.00 +0.089 A ATOM 27 C LIG 1 -5.822 -0.293 0.502 0.00 0.00 +0.043 A ATOM 28 C LIG 1 -7.188 0.033 0.127 0.00 0.00 +0.138 A ATOM 29 O LIG 1 -7.875 1.085 0.707 0.00 0.00 -0.491 OA ATOM 30 C LIG 1 -9.094 1.140 -0.079 0.00 0.00 +0.234 C ATOM 31 C LIG 1 -9.214 -0.135 -0.923 0.00 0.00 +0.085 C ATOM 32 C LIG 1 -7.857 -0.674 -0.775 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -7.263 -1.821 -1.464 0.00 0.00 +0.256 A ATOM 34 O LIG 1 -7.887 -2.465 -2.298 0.00 0.00 -0.267 OA ATOM 35 C LIG 1 -5.090 0.417 1.454 0.00 0.00 +0.014 A ATOM 36 N LIG 1 -5.969 -2.117 -1.108 0.00 0.00 -0.319 N ATOM 37 H LIG 1 -5.535 -2.908 -1.569 0.00 0.00 +0.169 HD ATOM 38 C LIG 1 -3.778 0.037 1.755 0.00 0.00 +0.008 A ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 6