REMARK Name = BDB001951 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.730 1.491 -1.023 0.00 0.00 +0.223 A ATOM 2 N LIG 1 -0.218 0.887 -0.312 0.00 0.00 -0.181 NA ATOM 3 C LIG 1 0.191 0.148 0.709 0.00 0.00 +0.222 A ATOM 4 N LIG 1 1.458 -0.033 1.041 0.00 0.00 -0.181 NA ATOM 5 C LIG 1 2.340 0.592 0.282 0.00 0.00 +0.221 A ATOM 6 N LIG 1 2.024 1.349 -0.757 0.00 0.00 -0.181 NA ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 0.362 2.271 -2.117 0.00 0.00 -0.303 N ATOM 8 C LIG 1 1.419 3.085 -2.696 0.00 0.00 +0.132 C BRANCH 7 9 ATOM 9 C LIG 1 -1.003 2.791 -2.154 0.00 0.00 +0.107 C BRANCH 9 10 ATOM 10 C LIG 1 -1.224 3.926 -1.145 0.00 0.00 +0.019 C BRANCH 10 12 ATOM 11 C LIG 1 -3.774 3.814 -1.113 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -2.543 4.671 -1.358 0.00 0.00 -0.002 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 3 13 ATOM 13 N LIG 1 -0.718 -0.550 1.500 0.00 0.00 -0.302 N ATOM 14 H LIG 1 -0.219 -0.665 2.381 0.00 0.00 +0.150 HD BRANCH 13 15 ATOM 15 C LIG 1 -2.065 0.025 1.680 0.00 0.00 +0.163 C BRANCH 15 16 ATOM 16 C LIG 1 -2.015 1.422 2.346 0.00 0.00 +0.231 C ATOM 17 O LIG 1 -1.000 1.922 2.828 0.00 0.00 -0.274 OA ATOM 18 N LIG 1 -3.203 2.085 2.484 0.00 0.00 -0.328 N ATOM 19 H LIG 1 -3.172 2.935 3.033 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -4.089 1.602 2.418 0.00 0.00 +0.145 HD ENDBRANCH 15 16 BRANCH 15 21 ATOM 21 C LIG 1 -2.897 -0.024 0.381 0.00 0.00 +0.069 C BRANCH 21 22 ATOM 22 C LIG 1 -4.339 -0.398 0.600 0.00 0.00 -0.019 A ATOM 23 C LIG 1 -4.833 -1.676 1.018 0.00 0.00 +0.022 A ATOM 24 C LIG 1 -6.218 -1.579 1.083 0.00 0.00 +0.138 A ATOM 25 N LIG 1 -7.094 -2.535 1.442 0.00 0.00 -0.237 NA ATOM 26 C LIG 1 -6.492 -3.705 1.756 0.00 0.00 +0.113 A ATOM 27 C LIG 1 -5.124 -3.946 1.728 0.00 0.00 +0.020 A ATOM 28 N LIG 1 -6.571 -0.316 0.702 0.00 0.00 -0.346 N ATOM 29 H LIG 1 -7.528 0.000 0.643 0.00 0.00 +0.167 HD ATOM 30 C LIG 1 -4.262 -2.916 1.351 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -5.446 0.411 0.405 0.00 0.00 +0.088 A ENDBRANCH 21 22 ENDBRANCH 15 21 ENDBRANCH 13 15 ENDBRANCH 3 13 BRANCH 5 32 ATOM 32 N LIG 1 3.671 0.388 0.619 0.00 0.00 -0.313 N ATOM 33 H LIG 1 3.697 -0.413 1.243 0.00 0.00 +0.149 HD BRANCH 32 34 ATOM 34 C LIG 1 4.618 0.316 -0.491 0.00 0.00 +0.109 C BRANCH 34 35 ATOM 35 C LIG 1 4.426 -0.925 -1.377 0.00 0.00 +0.057 C BRANCH 35 36 ATOM 36 C LIG 1 4.650 -2.231 -0.642 0.00 0.00 -0.004 A ATOM 37 C LIG 1 5.946 -2.695 -0.347 0.00 0.00 +0.123 A ATOM 38 C LIG 1 6.104 -3.897 0.351 0.00 0.00 +0.046 A ATOM 39 C LIG 1 4.988 -4.633 0.757 0.00 0.00 +0.004 A ATOM 40 C LIG 1 3.706 -4.176 0.469 0.00 0.00 +0.000 A ATOM 41 C LIG 1 3.537 -2.982 -0.227 0.00 0.00 +0.007 A BRANCH 37 42 ATOM 42 O LIG 1 6.976 -1.903 -0.782 0.00 0.00 -0.495 OA ATOM 43 C LIG 1 8.300 -2.338 -0.501 0.00 0.00 +0.277 C ENDBRANCH 37 42 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 5 32 TORSDOF 14