REMARK Name = BDB043059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.768 -1.157 0.873 0.00 0.00 +0.124 A ATOM 2 N LIG 1 -3.233 -1.793 -0.171 0.00 0.00 -0.213 NA ATOM 3 C LIG 1 -2.419 -1.907 -1.260 0.00 0.00 +0.163 A ATOM 4 N LIG 1 -1.126 -1.361 -1.302 0.00 0.00 -0.200 N ATOM 5 N LIG 1 -0.533 -1.605 -2.517 0.00 0.00 -0.171 NA ATOM 6 C LIG 1 -1.439 -2.296 -3.208 0.00 0.00 +0.141 A ATOM 7 C LIG 1 -0.596 -0.672 -0.173 0.00 0.00 +0.126 A ATOM 8 C LIG 1 -2.608 -2.512 -2.477 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -1.386 -0.570 0.912 0.00 0.00 +0.087 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.876 -3.250 -2.944 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -4.267 -4.532 -2.253 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -3.756 -4.570 -3.664 0.00 0.00 +0.009 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.562 -1.002 1.995 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -3.294 -0.225 2.598 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -5.009 -1.172 1.937 0.00 0.00 +0.109 C BRANCH 15 17 ATOM 16 C LIG 1 -5.611 1.211 2.574 0.00 0.00 +0.133 C ATOM 17 C LIG 1 -5.679 0.129 1.471 0.00 0.00 +0.037 C ATOM 18 C LIG 1 -7.137 -0.093 1.066 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -7.740 1.206 0.511 0.00 0.00 +0.081 C ATOM 20 N LIG 1 -7.199 2.432 1.116 0.00 0.00 -0.314 NA ATOM 21 H LIG 1 -7.909 3.165 1.075 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 -6.782 2.214 2.502 0.00 0.00 +0.112 C BRANCH 16 23 ATOM 23 O LIG 1 -4.362 1.900 2.456 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -4.435 2.438 1.643 0.00 0.00 +0.210 HD ENDBRANCH 16 23 ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 25 ATOM 25 N LIG 1 0.689 -0.113 -0.178 0.00 0.00 -0.323 N ATOM 26 H LIG 1 1.075 0.035 0.750 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 1.733 -0.358 -1.171 0.00 0.00 +0.160 C BRANCH 27 28 ATOM 28 C LIG 1 3.022 0.365 -0.901 0.00 0.00 +0.077 A ATOM 29 N LIG 1 4.137 -0.299 -0.429 0.00 0.00 -0.231 NA ATOM 30 C LIG 1 5.076 0.618 -0.322 0.00 0.00 +0.138 A ATOM 31 N LIG 1 4.602 1.874 -0.679 0.00 0.00 -0.306 N ATOM 32 C LIG 1 5.379 3.025 -0.656 0.00 0.00 +0.093 A ATOM 33 C LIG 1 6.666 2.935 -0.278 0.00 0.00 +0.026 A ATOM 34 C LIG 1 7.224 1.629 0.098 0.00 0.00 -0.013 A ATOM 35 C LIG 1 6.441 0.524 0.077 0.00 0.00 +0.055 A ATOM 36 C LIG 1 3.290 1.715 -1.037 0.00 0.00 +0.117 A BRANCH 34 37 ATOM 37 C LIG 1 8.639 1.470 0.486 0.00 0.00 -0.018 A ATOM 38 C LIG 1 9.652 1.717 -0.451 0.00 0.00 +0.008 A ATOM 39 C LIG 1 10.995 1.580 -0.093 0.00 0.00 +0.001 A ATOM 40 C LIG 1 11.336 1.192 1.202 0.00 0.00 +0.000 A ATOM 41 C LIG 1 10.336 0.946 2.141 0.00 0.00 +0.001 A ATOM 42 C LIG 1 8.992 1.086 1.787 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 7 25 TORSDOF 9