REMARK Name = BDB039517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.960 -0.355 -0.440 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -1.242 0.939 -0.719 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -2.523 1.169 -1.069 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -3.542 0.228 -1.186 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -4.719 0.937 -1.560 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -4.393 2.273 -1.664 0.00 0.00 +0.088 A ATOM 7 C LIG 1 -3.230 -1.122 -0.924 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -3.059 2.397 -1.374 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -1.901 -1.385 -0.541 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.083 -0.223 0.079 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.518 -1.107 0.987 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.071 -1.785 1.830 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.068 -1.075 0.763 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.801 -0.116 -0.206 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.496 0.128 -0.606 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.439 -0.609 -0.025 0.00 0.00 +0.001 A ATOM 17 C LIG 1 0.756 -1.573 0.970 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.075 -1.815 1.371 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.069 0.538 -0.640 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.225 0.864 1.732 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.108 0.610 1.291 0.00 0.00 +0.219 C ATOM 22 N LIG 1 7.998 1.271 1.754 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.159 1.948 2.486 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.713 1.210 1.265 0.00 0.00 +0.240 C ATOM 25 O LIG 1 5.858 1.995 1.673 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.474 0.216 0.117 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.481 -0.933 0.182 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.892 -0.369 0.160 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -2.263 3.647 -1.342 0.00 0.00 +0.116 C ATOM 30 C LIG 1 -2.659 4.586 -0.192 0.00 0.00 +0.107 C ATOM 31 N LIG 1 -3.457 5.386 -1.144 0.00 0.00 -0.312 NA ATOM 32 H LIG 1 -3.344 6.395 -1.053 0.00 0.00 +0.122 HD ATOM 33 C LIG 1 -2.733 4.773 -2.274 0.00 0.00 +0.107 C ENDBRANCH 8 29 BRANCH 7 34 ATOM 34 C LIG 1 -4.234 -2.247 -1.024 0.00 0.00 +0.120 C BRANCH 34 35 ATOM 35 N LIG 1 -5.165 -2.277 0.104 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -6.242 -3.246 -0.100 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -6.847 -3.393 1.288 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -5.731 -3.009 2.253 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -4.541 -2.666 1.369 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 5