REMARK Name = BDB008740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.461 -0.222 -0.053 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -1.172 -0.545 0.125 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -0.285 0.456 0.291 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.621 1.796 0.280 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -1.958 2.135 0.077 0.00 0.00 -0.010 A ATOM 6 C LIG 1 -2.890 1.101 -0.082 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.383 3.531 0.055 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -2.426 4.303 -1.129 0.00 0.00 +0.076 A ATOM 9 C LIG 1 -2.852 5.635 -1.122 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -2.764 6.056 -2.464 0.00 0.00 +0.143 A ATOM 11 N LIG 1 -2.324 5.096 -3.275 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 -3.247 6.243 0.083 0.00 0.00 +0.011 A ATOM 13 C LIG 1 -3.207 5.499 1.262 0.00 0.00 +0.001 A ATOM 14 N LIG 1 -2.116 4.048 -2.450 0.00 0.00 -0.266 N ATOM 15 C LIG 1 -1.607 2.824 -3.025 0.00 0.00 +0.173 C ATOM 16 C LIG 1 -2.784 4.172 1.245 0.00 0.00 +0.010 A ENDBRANCH 5 7 BRANCH 1 18 ATOM 17 C LIG 1 -3.199 -2.581 -0.217 0.00 0.00 +0.235 C ATOM 18 N LIG 1 -3.435 -1.216 -0.224 0.00 0.00 -0.269 N ATOM 19 H LIG 1 -4.386 -0.903 -0.351 0.00 0.00 +0.156 HD ATOM 20 O LIG 1 -2.117 -3.143 -0.072 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 -4.496 -3.396 -0.448 0.00 0.00 +0.137 C ATOM 22 C LIG 1 -4.793 -3.440 -1.945 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 -4.427 -4.842 1.505 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -4.350 -4.781 0.049 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 -3.414 -5.098 -0.228 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 3 26 ATOM 26 C LIG 1 1.065 0.031 0.476 0.00 0.00 -0.041 C ATOM 27 C LIG 1 2.195 -0.347 0.630 0.00 0.00 -0.060 C BRANCH 27 28 ATOM 28 C LIG 1 3.528 -0.831 0.813 0.00 0.00 +0.026 A ATOM 29 C LIG 1 4.617 0.018 0.586 0.00 0.00 +0.022 A ATOM 30 C LIG 1 5.890 -0.495 0.773 0.00 0.00 -0.016 A ATOM 31 C LIG 1 7.218 0.178 0.607 0.00 0.00 +0.133 C ATOM 32 C LIG 1 8.205 -0.938 0.964 0.00 0.00 +0.224 C ATOM 33 N LIG 1 7.453 -2.072 1.281 0.00 0.00 -0.274 N ATOM 34 C LIG 1 8.012 -3.334 1.684 0.00 0.00 +0.138 C ATOM 35 O LIG 1 9.422 -0.832 0.967 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 6.083 -1.818 1.174 0.00 0.00 +0.040 A ATOM 37 C LIG 1 5.021 -2.670 1.406 0.00 0.00 +0.025 A ATOM 38 C LIG 1 3.730 -2.164 1.220 0.00 0.00 +0.018 A ENDBRANCH 27 28 ENDBRANCH 3 26 TORSDOF 6