REMARK Name = BDB035467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.346 -0.216 -1.671 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.288 -0.003 -0.443 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.162 0.124 0.681 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.732 0.034 -0.707 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.766 0.229 0.191 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.077 0.223 -0.305 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.299 -0.007 -1.683 0.00 0.00 +0.014 A ATOM 8 C LIG 1 3.234 -0.206 -2.585 0.00 0.00 +0.023 A ATOM 9 C LIG 1 1.944 -0.177 -2.065 0.00 0.00 -0.009 A ATOM 10 C LIG 1 0.625 -0.347 -2.748 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.085 -0.166 -1.066 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.683 -0.076 -0.877 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.747 -0.301 -1.900 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.243 -0.612 -3.172 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.614 -0.713 -3.402 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.516 -0.498 -2.363 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.374 -0.914 1.608 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -4.851 -0.728 1.455 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.105 0.104 0.149 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.504 -0.600 0.105 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.195 1.667 0.438 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.678 2.650 -0.382 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.210 2.523 -1.709 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.528 3.818 0.300 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.978 3.580 1.466 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.760 2.226 1.550 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -6.752 -0.022 3.842 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.103 -0.010 2.466 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.511 -0.490 -4.036 0.00 0.00 +0.372 C ATOM 30 F LIG 1 4.552 0.238 -4.527 0.00 0.00 -0.204 F ATOM 31 F LIG 1 2.453 -0.217 -4.850 0.00 0.00 -0.204 F ENDBRANCH 8 29 BRANCH 6 32 ATOM 32 C LIG 1 5.245 0.417 0.638 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.600 -0.852 1.274 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.670 -1.569 0.553 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 6.792 -0.734 2.129 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.237 -2.182 2.499 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.679 -1.759 2.147 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.074 -0.658 1.251 0.00 0.00 +0.022 C ATOM 39 C LIG 1 6.647 0.213 3.306 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8