REMARK Name = BDB063120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.257 -3.246 -0.244 0.00 0.00 -0.015 A ATOM 2 C LIG 1 -0.349 -2.921 0.962 0.00 0.00 +0.117 A ATOM 3 N LIG 1 -1.470 -2.170 1.081 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 -2.053 -1.701 -0.045 0.00 0.00 +0.125 A ATOM 5 C LIG 1 -1.519 -1.990 -1.294 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.363 -2.767 -1.395 0.00 0.00 +0.010 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.188 -0.942 0.162 0.00 0.00 -0.268 N ATOM 8 H LIG 1 -3.419 -0.843 1.138 0.00 0.00 +0.156 HD BRANCH 7 9 ATOM 9 C LIG 1 -4.067 -0.254 -0.654 0.00 0.00 +0.221 A ATOM 10 N LIG 1 -5.060 0.386 -0.017 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -5.953 1.090 -0.749 0.00 0.00 +0.076 A ATOM 12 C LIG 1 -5.870 1.150 -2.124 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -4.828 0.463 -2.694 0.00 0.00 +0.116 A ATOM 14 N LIG 1 -3.924 -0.234 -1.987 0.00 0.00 -0.223 NA BRANCH 11 15 ATOM 15 C LIG 1 -7.013 1.770 0.022 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -7.537 1.176 1.189 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -8.553 1.804 1.940 0.00 0.00 +0.079 A ATOM 18 C LIG 1 -9.034 3.041 1.512 0.00 0.00 +0.039 A ATOM 19 S LIG 1 -10.256 3.578 2.603 0.00 0.00 -0.075 S ATOM 20 C LIG 1 -10.045 2.151 3.525 0.00 0.00 +0.157 A ATOM 21 C LIG 1 -8.534 3.670 0.363 0.00 0.00 +0.018 A ATOM 22 N LIG 1 -9.141 1.303 3.091 0.00 0.00 -0.247 NA ATOM 23 C LIG 1 -7.527 3.019 -0.363 0.00 0.00 +0.011 A ENDBRANCH 11 15 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 C LIG 1 1.508 -4.085 -0.285 0.00 0.00 +0.121 C BRANCH 24 29 ATOM 25 C LIG 1 5.185 0.208 -0.633 0.00 0.00 +0.403 C ATOM 26 N LIG 1 4.319 -0.850 -0.454 0.00 0.00 -0.265 N ATOM 27 C LIG 1 3.333 -1.172 -1.480 0.00 0.00 +0.126 C ATOM 28 C LIG 1 3.095 -2.690 -1.588 0.00 0.00 +0.104 C ATOM 29 N LIG 1 2.781 -3.363 -0.318 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 3.062 -2.546 0.871 0.00 0.00 +0.104 C ATOM 31 C LIG 1 4.348 -1.713 0.727 0.00 0.00 +0.126 C ATOM 32 O LIG 1 5.160 0.947 -1.609 0.00 0.00 -0.226 OA BRANCH 25 33 ATOM 33 O LIG 1 6.062 0.322 0.398 0.00 0.00 -0.445 OA BRANCH 33 35 ATOM 34 C LIG 1 8.046 1.220 -0.755 0.00 0.00 +0.055 C ATOM 35 C LIG 1 7.066 1.368 0.414 0.00 0.00 +0.107 C ATOM 36 C LIG 1 7.834 1.146 1.727 0.00 0.00 +0.055 C ATOM 37 C LIG 1 6.424 2.759 0.454 0.00 0.00 +0.055 C ENDBRANCH 33 35 ENDBRANCH 25 33 ENDBRANCH 24 29 ENDBRANCH 1 24 TORSDOF 7