REMARK Name = BDB039435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.737 -1.147 -0.441 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.566 -0.096 -0.891 0.00 0.00 +0.016 A ATOM 3 C LIG 1 2.900 -0.074 -0.513 0.00 0.00 -0.017 A ATOM 4 C LIG 1 3.966 0.916 -0.837 0.00 0.00 +0.144 C ATOM 5 N LIG 1 5.149 0.330 -0.222 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.835 -0.787 0.539 0.00 0.00 +0.248 C ATOM 7 O LIG 1 5.557 -1.422 1.283 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.416 -1.076 0.303 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.651 -2.124 0.768 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.307 -2.154 0.384 0.00 0.00 +0.011 A ENDROOT BRANCH 1 17 ATOM 11 C LIG 1 -2.512 -4.957 -1.901 0.00 0.00 +0.150 C ATOM 12 N LIG 1 -3.111 -3.646 -1.834 0.00 0.00 -0.335 N ATOM 13 C LIG 1 -2.438 -2.507 -1.469 0.00 0.00 +0.141 A ATOM 14 C LIG 1 -3.338 -1.448 -1.519 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.869 -0.163 -1.174 0.00 0.00 -0.021 A ATOM 16 C LIG 1 -1.506 -0.079 -0.827 0.00 0.00 +0.034 A ATOM 17 C LIG 1 -0.693 -1.218 -0.815 0.00 0.00 +0.074 A ATOM 18 C LIG 1 -4.588 -1.993 -1.929 0.00 0.00 +0.029 A ATOM 19 N LIG 1 -1.136 -2.457 -1.128 0.00 0.00 -0.229 NA ATOM 20 C LIG 1 -4.418 -3.348 -2.118 0.00 0.00 +0.088 A BRANCH 15 21 ATOM 21 C LIG 1 -3.726 1.080 -1.196 0.00 0.00 +0.120 C BRANCH 21 22 ATOM 22 N LIG 1 -4.889 1.039 -0.305 0.00 0.00 -0.293 NA ATOM 23 C LIG 1 -4.667 1.133 1.153 0.00 0.00 +0.017 C ATOM 24 C LIG 1 -3.732 2.278 1.590 0.00 0.00 +0.027 C ATOM 25 C LIG 1 -4.182 -0.182 1.779 0.00 0.00 +0.027 C ATOM 26 C LIG 1 -6.103 1.403 1.637 0.00 0.00 +0.023 C ATOM 27 C LIG 1 -6.720 2.291 0.570 0.00 0.00 +0.017 C ATOM 28 C LIG 1 -5.852 2.090 -0.661 0.00 0.00 +0.085 C ENDBRANCH 21 22 ENDBRANCH 15 21 ENDBRANCH 1 17 BRANCH 5 29 ATOM 29 C LIG 1 6.394 1.081 -0.105 0.00 0.00 +0.163 C ATOM 30 C LIG 1 6.414 1.928 1.177 0.00 0.00 +0.240 C ATOM 31 O LIG 1 5.405 2.415 1.684 0.00 0.00 -0.273 OA ATOM 32 N LIG 1 7.659 2.231 1.680 0.00 0.00 -0.255 N ATOM 33 H LIG 1 7.671 2.818 2.502 0.00 0.00 +0.158 HD ATOM 34 C LIG 1 8.883 1.938 1.133 0.00 0.00 +0.219 C ATOM 35 O LIG 1 9.915 2.403 1.607 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 8.881 1.101 -0.126 0.00 0.00 +0.098 C ATOM 37 C LIG 1 7.649 0.213 -0.197 0.00 0.00 +0.041 C ENDBRANCH 5 29 TORSDOF 4