REMARK Name = BDB005707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.652 0.294 0.016 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -1.412 -0.814 -0.333 0.00 0.00 +0.078 A ATOM 3 C LIG 1 -2.126 -0.364 -1.449 0.00 0.00 +0.092 A ATOM 4 C LIG 1 -2.988 -1.224 -2.149 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -3.133 -2.540 -1.711 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -2.435 -2.975 -0.580 0.00 0.00 +0.022 A ATOM 7 N LIG 1 -1.876 0.951 -1.720 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -1.564 -2.134 0.151 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -1.022 1.339 -0.808 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -0.502 2.588 -0.659 0.00 0.00 -0.291 N ATOM 11 C LIG 1 -1.458 3.565 -0.072 0.00 0.00 +0.133 C ATOM 12 C LIG 1 -1.350 4.975 -0.658 0.00 0.00 +0.166 C ATOM 13 C LIG 1 -1.968 5.815 0.452 0.00 0.00 +0.193 C ATOM 14 O LIG 1 -1.732 5.133 1.700 0.00 0.00 -0.375 OA ATOM 15 O LIG 1 0.007 5.399 -0.864 0.00 0.00 -0.371 OA ATOM 16 C LIG 1 0.800 4.454 -1.594 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -1.174 3.844 1.399 0.00 0.00 +0.185 C ATOM 18 C LIG 1 0.104 3.120 -1.899 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 -4.017 -3.496 -2.404 0.00 0.00 +0.183 A ATOM 20 N LIG 1 -4.739 -3.143 -3.476 0.00 0.00 -0.271 N ATOM 21 H LIG 1 -4.814 -2.264 -3.955 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -5.424 -4.232 -3.857 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -6.194 -4.293 -4.802 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -5.114 -5.262 -3.008 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -4.180 -4.732 -2.063 0.00 0.00 -0.054 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 -0.910 -2.646 1.349 0.00 0.00 +0.004 A ATOM 27 C LIG 1 0.193 -3.506 1.272 0.00 0.00 +0.031 A ATOM 28 C LIG 1 0.789 -3.973 2.439 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 2.160 -5.002 2.365 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 0.260 -3.577 3.657 0.00 0.00 +0.130 A ATOM 31 N LIG 1 -0.813 -2.760 3.780 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 -1.377 -2.327 2.627 0.00 0.00 +0.119 A ENDBRANCH 8 26 BRANCH 1 33 ATOM 33 C LIG 1 0.386 0.394 1.028 0.00 0.00 +0.128 C BRANCH 33 38 ATOM 34 C LIG 1 5.719 -1.058 0.938 0.00 0.00 +0.007 C ATOM 35 C LIG 1 4.215 -1.317 0.832 0.00 0.00 -0.014 C ATOM 36 C LIG 1 3.692 -0.841 -0.534 0.00 0.00 +0.003 C ATOM 37 C LIG 1 2.189 -0.596 -0.493 0.00 0.00 +0.005 C ATOM 38 C LIG 1 1.823 0.540 0.481 0.00 0.00 +0.009 C ATOM 39 C LIG 1 2.832 0.660 1.643 0.00 0.00 +0.005 C ATOM 40 C LIG 1 3.451 -0.685 2.010 0.00 0.00 +0.003 C ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 5