REMARK Name = BDB054639 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.395 -2.432 1.517 0.00 0.00 +0.055 A ATOM 2 C LIG 1 1.262 -1.324 0.643 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -0.024 -0.862 0.321 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.159 -1.493 0.845 0.00 0.00 +0.002 A ATOM 5 C LIG 1 -1.010 -2.573 1.721 0.00 0.00 +0.012 A ATOM 6 C LIG 1 0.263 -3.045 2.053 0.00 0.00 +0.026 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.534 -1.016 0.524 0.00 0.00 +0.077 A ATOM 8 N LIG 1 -3.451 -1.061 1.450 0.00 0.00 -0.226 NA ATOM 9 C LIG 1 -4.691 -0.598 1.113 0.00 0.00 +0.176 A ATOM 10 N LIG 1 -4.976 -0.106 -0.164 0.00 0.00 -0.199 N ATOM 11 N LIG 1 -6.273 0.323 -0.263 0.00 0.00 -0.170 NA ATOM 12 C LIG 1 -6.792 0.078 0.941 0.00 0.00 +0.156 A ATOM 13 C LIG 1 -3.991 -0.077 -1.180 0.00 0.00 +0.125 A ATOM 14 C LIG 1 -5.864 -0.487 1.826 0.00 0.00 +0.116 A ATOM 15 C LIG 1 -2.761 -0.532 -0.876 0.00 0.00 +0.072 A BRANCH 13 16 ATOM 16 N LIG 1 -4.397 0.410 -2.423 0.00 0.00 -0.326 N ATOM 17 H LIG 1 -5.331 0.831 -2.363 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 -3.430 0.998 -3.344 0.00 0.00 +0.072 C ATOM 19 C LIG 1 -2.841 2.358 -3.096 0.00 0.00 +0.024 C ATOM 20 C LIG 1 -3.822 2.159 -4.214 0.00 0.00 +0.024 C ENDBRANCH 16 18 ENDBRANCH 13 16 BRANCH 14 21 ATOM 21 C LIG 1 -6.079 -0.864 3.180 0.00 0.00 +0.104 C ATOM 22 N LIG 1 -6.302 -1.155 4.282 0.00 0.00 -0.191 NA ENDBRANCH 14 21 ENDBRANCH 4 7 BRANCH 1 25 ATOM 23 C LIG 1 4.654 -4.005 2.591 0.00 0.00 +0.109 C ATOM 24 C LIG 1 3.151 -3.886 2.567 0.00 0.00 +0.214 C ATOM 25 N LIG 1 2.717 -2.841 1.785 0.00 0.00 -0.284 N ATOM 26 H LIG 1 3.399 -2.271 1.290 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 2.451 -4.685 3.179 0.00 0.00 -0.276 OA ENDBRANCH 1 25 BRANCH 2 28 ATOM 28 N LIG 1 2.442 -0.706 0.155 0.00 0.00 -0.327 N ATOM 29 C LIG 1 2.693 0.604 0.808 0.00 0.00 +0.124 C ATOM 30 C LIG 1 3.381 1.464 -0.282 0.00 0.00 +0.075 C ATOM 31 C LIG 1 2.612 0.993 -1.521 0.00 0.00 +0.039 C ATOM 32 C LIG 1 2.497 -0.513 -1.307 0.00 0.00 +0.107 C BRANCH 30 33 ATOM 33 N LIG 1 3.320 2.924 -0.070 0.00 0.00 -0.304 NA ATOM 34 C LIG 1 3.960 3.307 1.193 0.00 0.00 +0.104 C ATOM 35 C LIG 1 3.948 3.659 -1.172 0.00 0.00 +0.104 C ENDBRANCH 30 33 ENDBRANCH 2 28 TORSDOF 7