REMARK Name = BDB010383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.133 -0.893 0.983 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -1.081 -0.974 0.091 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.054 -1.289 0.810 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.413 -1.434 2.109 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.350 -1.779 3.156 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 1.624 -1.982 2.813 0.00 0.00 +0.221 A ATOM 7 N LIG 1 2.169 -1.864 1.583 0.00 0.00 -0.206 NA ATOM 8 C LIG 1 1.405 -1.501 0.535 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.751 -1.198 2.198 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.395 1.403 2.152 0.00 0.00 +0.030 C ATOM 11 C LIG 1 -3.918 0.770 0.856 0.00 0.00 +0.099 C ATOM 12 N LIG 1 -3.398 -0.610 0.574 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -4.385 -1.678 0.893 0.00 0.00 +0.136 C ATOM 14 C LIG 1 -5.296 -1.292 2.062 0.00 0.00 +0.179 C ATOM 15 O LIG 1 -6.050 -0.090 1.834 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 -5.464 0.765 0.844 0.00 0.00 +0.182 C ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 2.543 -2.369 3.902 0.00 0.00 +0.287 A ATOM 18 O LIG 1 3.842 -2.545 3.539 0.00 0.00 -0.385 OA ATOM 19 C LIG 1 4.464 -2.886 4.698 0.00 0.00 +0.436 A ATOM 20 O LIG 1 5.649 -3.133 4.826 0.00 0.00 -0.221 OA ATOM 21 N LIG 1 3.499 -2.891 5.666 0.00 0.00 -0.208 N ATOM 22 H LIG 1 3.647 -3.107 6.643 0.00 0.00 +0.195 HD ATOM 23 N LIG 1 2.282 -2.563 5.162 0.00 0.00 -0.127 NA ENDBRANCH 6 17 BRANCH 8 24 ATOM 24 N LIG 1 1.965 -1.363 -0.724 0.00 0.00 -0.324 N ATOM 25 H LIG 1 1.486 -0.678 -1.292 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 3.418 -1.332 -0.937 0.00 0.00 +0.072 C ATOM 27 C LIG 1 4.078 -2.678 -0.643 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 4.117 -0.192 -0.196 0.00 0.00 +0.009 C ATOM 29 C LIG 1 5.522 0.220 -0.719 0.00 0.00 +0.005 C ATOM 30 C LIG 1 5.139 1.676 -0.390 0.00 0.00 +0.001 C ATOM 31 C LIG 1 3.667 1.251 -0.562 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 -1.212 -0.907 -1.352 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 -1.401 0.502 -1.947 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -1.288 0.453 -3.475 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -1.662 1.792 -4.118 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -1.166 3.026 -3.342 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -2.321 3.755 -2.649 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -0.059 2.662 -2.350 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.460 1.569 -1.357 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 7