REMARK Name = BDB008637 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.793 0.411 -0.892 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.453 0.126 -1.015 0.00 0.00 +0.070 A ATOM 3 C LIG 1 1.376 -1.264 -1.097 0.00 0.00 +0.031 A ATOM 4 C LIG 1 0.101 -1.853 -1.228 0.00 0.00 -0.002 A ATOM 5 C LIG 1 -1.043 -1.040 -1.264 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -0.949 0.357 -1.164 0.00 0.00 -0.025 A ATOM 7 C LIG 1 2.731 -1.703 -1.016 0.00 0.00 +0.068 A ATOM 8 C LIG 1 3.264 -3.088 -1.056 0.00 0.00 +0.068 C ATOM 9 C LIG 1 0.319 0.954 -1.052 0.00 0.00 +0.033 A ATOM 10 N LIG 1 3.580 -0.678 -0.884 0.00 0.00 -0.175 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -0.028 -3.284 -1.298 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -0.080 -4.008 -2.467 0.00 0.00 +0.142 A ATOM 13 C LIG 1 -0.011 -3.666 -3.900 0.00 0.00 +0.090 C ATOM 14 O LIG 1 -0.228 -5.327 -2.165 0.00 0.00 -0.359 OA ATOM 15 N LIG 1 -0.280 -5.487 -0.792 0.00 0.00 -0.083 NA ATOM 16 C LIG 1 -0.159 -4.257 -0.276 0.00 0.00 +0.089 A ATOM 17 C LIG 1 -0.184 -4.060 1.191 0.00 0.00 +0.070 C ENDBRANCH 4 11 BRANCH 6 18 ATOM 18 C LIG 1 -2.233 1.192 -1.194 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -2.523 1.580 -2.651 0.00 0.00 +0.033 C BRANCH 18 20 ATOM 20 N LIG 1 -2.207 2.315 -0.221 0.00 0.00 -0.289 N ATOM 21 C LIG 1 -2.104 2.109 1.169 0.00 0.00 +0.246 C ATOM 22 O LIG 1 -1.722 3.009 1.926 0.00 0.00 -0.273 OA BRANCH 21 23 ATOM 23 C LIG 1 -2.440 0.707 1.736 0.00 0.00 +0.217 C ATOM 24 O LIG 1 -3.736 0.259 1.313 0.00 0.00 -0.365 OA ATOM 25 C LIG 1 -4.043 -1.031 1.856 0.00 0.00 +0.176 C ATOM 26 C LIG 1 -3.994 -1.021 3.389 0.00 0.00 +0.109 C ATOM 27 N LIG 1 -2.683 -0.580 3.894 0.00 0.00 -0.311 NA ATOM 28 H LIG 1 -1.973 -1.253 3.607 0.00 0.00 +0.122 HD ATOM 29 C LIG 1 -2.367 0.733 3.283 0.00 0.00 +0.122 C ENDBRANCH 21 23 BRANCH 20 30 ATOM 30 C LIG 1 -2.019 3.665 -0.734 0.00 0.00 +0.077 C ATOM 31 C LIG 1 -2.657 4.875 -0.090 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -3.144 4.406 -1.419 0.00 0.00 +0.024 C ENDBRANCH 20 30 ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 1 33 ATOM 33 C LIG 1 3.397 1.728 -0.770 0.00 0.00 +0.146 C BRANCH 33 34 ATOM 34 C LIG 1 3.408 2.245 0.668 0.00 0.00 +0.051 C BRANCH 34 35 ATOM 35 C LIG 1 4.458 1.556 1.533 0.00 0.00 +0.161 C BRANCH 35 37 ATOM 36 C LIG 1 6.775 1.182 1.715 0.00 0.00 +0.193 C ATOM 37 O LIG 1 5.751 1.898 1.037 0.00 0.00 -0.383 OA ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 9