REMARK Name = BDB015204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.215 -1.545 -0.665 0.00 0.00 -0.327 N ATOM 2 H LIG 1 0.636 -2.300 -1.203 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 3.337 0.422 -0.373 0.00 0.00 +0.024 A ATOM 4 C LIG 1 2.419 -0.641 -0.360 0.00 0.00 +0.055 A ATOM 5 C LIG 1 1.089 -0.440 -0.723 0.00 0.00 +0.119 A ATOM 6 N LIG 1 0.633 0.773 -1.080 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 1.508 1.798 -1.088 0.00 0.00 +0.113 A ATOM 8 C LIG 1 2.844 1.675 -0.753 0.00 0.00 +0.031 A BRANCH 3 15 ATOM 9 C LIG 1 7.692 3.370 0.194 0.00 0.00 +0.150 C ATOM 10 N LIG 1 7.830 1.958 0.457 0.00 0.00 -0.335 N ATOM 11 C LIG 1 6.809 1.047 0.360 0.00 0.00 +0.144 A ATOM 12 C LIG 1 7.324 -0.197 0.690 0.00 0.00 +0.037 A ATOM 13 C LIG 1 6.429 -1.260 0.649 0.00 0.00 +0.124 A ATOM 14 N LIG 1 5.141 -1.038 0.301 0.00 0.00 -0.235 NA ATOM 15 C LIG 1 4.753 0.227 0.002 0.00 0.00 +0.162 A ATOM 16 C LIG 1 8.699 -0.018 0.993 0.00 0.00 +0.031 A ATOM 17 N LIG 1 5.542 1.322 0.008 0.00 0.00 -0.210 NA ATOM 18 C LIG 1 8.985 1.324 0.841 0.00 0.00 +0.088 A ENDBRANCH 3 15 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -1.157 -1.248 -1.123 0.00 0.00 +0.135 C BRANCH 19 20 ATOM 20 C LIG 1 -2.008 -2.519 -0.932 0.00 0.00 +0.145 C BRANCH 20 21 ATOM 21 O LIG 1 -1.947 -2.955 0.435 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 -1.076 -2.640 0.756 0.00 0.00 +0.210 HD ENDBRANCH 20 21 BRANCH 20 23 ATOM 23 C LIG 1 -3.471 -2.362 -1.402 0.00 0.00 +0.117 C BRANCH 23 24 ATOM 24 N LIG 1 -4.205 -1.172 -0.921 0.00 0.00 -0.295 NA ATOM 25 C LIG 1 -4.375 -1.202 0.549 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -5.323 -0.146 1.086 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -6.236 0.510 0.243 0.00 0.00 -0.042 A ATOM 28 C LIG 1 -7.114 1.465 0.773 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -7.105 1.749 2.138 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.215 1.087 2.981 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.222 0.227 -1.235 0.00 0.00 +0.051 C ATOM 32 C LIG 1 -5.331 0.143 2.459 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.527 -1.098 -1.566 0.00 0.00 +0.089 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7