REMARK Name = BDB043206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.194 0.838 0.272 0.00 0.00 +0.223 A ATOM 2 N LIG 1 1.937 2.139 0.477 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 0.702 2.487 0.882 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.276 1.542 1.078 0.00 0.00 +0.087 A ATOM 5 C LIG 1 0.057 0.232 0.823 0.00 0.00 +0.126 A ATOM 6 N LIG 1 1.283 -0.127 0.432 0.00 0.00 -0.199 NA ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 3.494 0.561 -0.147 0.00 0.00 -0.284 N ATOM 8 H LIG 1 4.007 1.429 -0.204 0.00 0.00 +0.155 HD BRANCH 7 12 ATOM 9 C LIG 1 5.751 -2.929 -0.953 0.00 0.00 +0.059 A ATOM 10 C LIG 1 6.279 -1.654 -1.174 0.00 0.00 +0.017 A ATOM 11 C LIG 1 5.514 -0.515 -0.893 0.00 0.00 +0.024 A ATOM 12 C LIG 1 4.210 -0.616 -0.381 0.00 0.00 +0.034 A ATOM 13 C LIG 1 3.694 -1.899 -0.175 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.452 -3.046 -0.452 0.00 0.00 +0.017 A BRANCH 9 15 ATOM 15 C LIG 1 6.601 -4.109 -1.266 0.00 0.00 +0.339 C ATOM 16 O LIG 1 7.737 -4.024 -1.706 0.00 0.00 -0.245 OA BRANCH 15 18 ATOM 17 C LIG 1 6.696 -6.442 -1.272 0.00 0.00 +0.280 C ATOM 18 O LIG 1 5.940 -5.263 -0.997 0.00 0.00 -0.464 OA ENDBRANCH 15 18 ENDBRANCH 9 15 ENDBRANCH 7 12 ENDBRANCH 1 7 BRANCH 3 19 ATOM 19 N LIG 1 0.515 3.858 1.079 0.00 0.00 -0.283 N ATOM 20 H LIG 1 1.393 4.322 0.884 0.00 0.00 +0.155 HD BRANCH 19 21 ATOM 21 C LIG 1 -0.564 4.593 1.415 0.00 0.00 +0.146 A ATOM 22 N LIG 1 -1.809 4.171 1.650 0.00 0.00 -0.158 NA ATOM 23 N LIG 1 -2.497 5.284 1.941 0.00 0.00 -0.280 N ATOM 24 H LIG 1 -3.484 5.193 2.160 0.00 0.00 +0.189 HD ATOM 25 C LIG 1 -1.744 6.422 1.898 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -2.306 7.759 2.183 0.00 0.00 +0.065 C ATOM 27 C LIG 1 -0.479 6.001 1.556 0.00 0.00 +0.068 A ENDBRANCH 19 21 ENDBRANCH 3 19 BRANCH 5 28 ATOM 28 N LIG 1 -0.849 -0.821 0.988 0.00 0.00 -0.328 N ATOM 29 H LIG 1 -0.328 -1.648 0.697 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -2.104 -0.668 0.245 0.00 0.00 +0.118 C BRANCH 30 31 ATOM 31 C LIG 1 -2.941 -1.965 0.361 0.00 0.00 +0.103 C BRANCH 31 32 ATOM 32 N LIG 1 -4.248 -2.014 -0.311 0.00 0.00 -0.297 NA ATOM 33 C LIG 1 -5.216 -1.044 0.232 0.00 0.00 +0.112 C ATOM 34 C LIG 1 -6.581 -1.188 -0.461 0.00 0.00 +0.175 C ATOM 35 O LIG 1 -6.462 -1.011 -1.880 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 -5.551 -1.980 -2.421 0.00 0.00 +0.175 C ATOM 37 C LIG 1 -4.161 -1.855 -1.774 0.00 0.00 +0.112 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 5 28 TORSDOF 10