REMARK Name = BDB056154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.226 0.603 -1.391 0.00 0.00 -0.327 N ATOM 2 C LIG 1 0.205 1.446 -0.722 0.00 0.00 +0.120 C ATOM 3 C LIG 1 -0.477 2.426 -1.709 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -1.021 1.815 -2.933 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 -0.277 0.610 -3.344 0.00 0.00 +0.103 C ATOM 6 C LIG 1 1.194 0.621 -2.865 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.932 0.451 0.648 0.00 0.00 +0.037 A ATOM 8 C LIG 1 3.809 -0.193 1.176 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.578 -0.172 0.489 0.00 0.00 -0.029 A ATOM 10 C LIG 1 1.410 -0.896 1.106 0.00 0.00 +0.045 C ATOM 11 C LIG 1 2.457 0.534 -0.731 0.00 0.00 +0.033 A ATOM 12 C LIG 1 3.600 1.176 -1.237 0.00 0.00 +0.024 A ATOM 13 C LIG 1 4.821 1.144 -0.557 0.00 0.00 +0.015 A BRANCH 7 16 ATOM 14 N LIG 1 6.538 -0.683 2.085 0.00 0.00 -0.312 N ATOM 15 H LIG 1 5.961 -1.506 1.967 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 6.244 0.448 1.350 0.00 0.00 +0.244 C ATOM 17 O LIG 1 7.005 1.400 1.233 0.00 0.00 -0.270 OA BRANCH 14 19 ATOM 18 C LIG 1 8.883 -1.345 1.768 0.00 0.00 +0.024 C ATOM 19 C LIG 1 7.821 -0.848 2.736 0.00 0.00 +0.101 C ENDBRANCH 14 19 ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 20 ATOM 20 C LIG 1 -2.478 1.683 -2.987 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 C LIG 1 -3.126 0.799 -1.938 0.00 0.00 -0.028 A ATOM 22 C LIG 1 -3.520 1.333 -0.697 0.00 0.00 +0.054 A ATOM 23 C LIG 1 -4.108 0.528 0.285 0.00 0.00 +0.164 A ATOM 24 C LIG 1 -4.316 -0.833 0.016 0.00 0.00 +0.184 A ATOM 25 O LIG 1 -4.953 -1.585 0.975 0.00 0.00 -0.474 OA ATOM 26 C LIG 1 -4.744 -2.988 0.851 0.00 0.00 +0.256 C ATOM 27 C LIG 1 -4.715 -3.563 -0.572 0.00 0.00 +0.258 C ATOM 28 N LIG 1 -4.199 -2.710 -1.513 0.00 0.00 -0.279 N ATOM 29 H LIG 1 -4.067 -3.081 -2.442 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 -5.031 -4.713 -0.867 0.00 0.00 -0.271 OA ATOM 31 C LIG 1 -5.817 -3.684 1.682 0.00 0.00 +0.062 C ATOM 32 C LIG 1 -3.945 -1.368 -1.222 0.00 0.00 +0.080 A ATOM 33 C LIG 1 -3.359 -0.560 -2.195 0.00 0.00 +0.032 A BRANCH 23 34 ATOM 34 O LIG 1 -4.514 0.969 1.518 0.00 0.00 -0.489 OA BRANCH 34 35 ATOM 35 C LIG 1 -4.199 2.311 1.881 0.00 0.00 +0.226 C ATOM 36 C LIG 1 -4.659 2.529 3.310 0.00 0.00 +0.048 C ENDBRANCH 34 35 ENDBRANCH 23 34 ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 7