REMARK Name = BDB011534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.370 0.262 -1.290 0.00 0.00 +0.197 C ATOM 2 C LIG 1 2.175 1.064 -0.744 0.00 0.00 +0.244 C ATOM 3 O LIG 1 2.361 1.995 0.050 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.915 0.713 -1.231 0.00 0.00 -0.262 N ATOM 5 C LIG 1 0.691 -0.501 -1.950 0.00 0.00 +0.079 A ATOM 6 C LIG 1 1.354 -1.690 -1.596 0.00 0.00 +0.142 A ATOM 7 C LIG 1 1.108 -2.884 -2.274 0.00 0.00 +0.047 A ATOM 8 C LIG 1 0.223 -2.900 -3.348 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.429 -1.729 -3.727 0.00 0.00 +0.002 A ATOM 10 O LIG 1 2.141 -1.767 -0.479 0.00 0.00 -0.488 OA ATOM 11 C LIG 1 -0.202 -0.539 -3.029 0.00 0.00 +0.027 A ATOM 12 C LIG 1 3.403 -1.117 -0.639 0.00 0.00 +0.261 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 5.065 1.940 -1.915 0.00 0.00 +0.230 C ATOM 14 N LIG 1 4.591 1.022 -0.995 0.00 0.00 -0.300 N ATOM 15 H LIG 1 4.682 1.309 -0.027 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 4.688 1.970 -3.084 0.00 0.00 -0.274 OA BRANCH 13 18 ATOM 17 C LIG 1 7.168 2.364 -0.527 0.00 0.00 +0.033 C ATOM 18 C LIG 1 6.038 2.988 -1.337 0.00 0.00 +0.135 C BRANCH 18 19 ATOM 19 N LIG 1 5.285 3.951 -0.511 0.00 0.00 -0.320 NA ATOM 20 H LIG 1 4.631 4.447 -1.121 0.00 0.00 +0.119 HD ATOM 21 H LIG 1 4.683 3.459 0.151 0.00 0.00 +0.119 HD ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.237 1.531 -0.840 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 -1.002 0.943 0.331 0.00 0.00 -0.019 A ATOM 24 C LIG 1 -2.240 0.266 0.202 0.00 0.00 +0.025 A ATOM 25 C LIG 1 -3.072 -0.105 -0.874 0.00 0.00 +0.143 A ATOM 26 N LIG 1 -4.137 -0.807 -0.496 0.00 0.00 -0.174 NA ATOM 27 N LIG 1 -4.085 -0.787 0.862 0.00 0.00 -0.231 N ATOM 28 C LIG 1 -2.891 -0.243 1.328 0.00 0.00 +0.075 A ATOM 29 C LIG 1 -2.300 -0.193 2.602 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -1.080 0.469 2.732 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -0.453 1.037 1.627 0.00 0.00 +0.006 A BRANCH 27 32 ATOM 32 C LIG 1 -5.171 -1.343 1.595 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -5.672 -0.775 2.778 0.00 0.00 +0.077 A ATOM 34 C LIG 1 -6.724 -1.419 3.453 0.00 0.00 +0.021 A ATOM 35 C LIG 1 -7.291 -2.589 2.946 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.829 -3.120 1.746 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -5.784 -2.495 1.065 0.00 0.00 +0.029 A BRANCH 33 38 ATOM 38 C LIG 1 -5.275 0.511 3.278 0.00 0.00 +0.101 C ATOM 39 N LIG 1 -4.986 1.549 3.711 0.00 0.00 -0.191 NA ENDBRANCH 33 38 ENDBRANCH 27 32 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7