REMARK Name = LIG001775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.021 2.432 0.612 0.00 0.00 +0.144 A ATOM 2 C LIG 1 0.021 1.143 0.056 0.00 0.00 +0.077 A ATOM 3 C LIG 1 -1.172 0.517 -0.307 0.00 0.00 +0.039 A ATOM 4 C LIG 1 -2.422 1.162 -0.155 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -2.446 2.458 0.402 0.00 0.00 +0.076 A ATOM 6 N LIG 1 -3.585 3.140 0.600 0.00 0.00 -0.253 NA ATOM 7 C LIG 1 -4.753 2.553 0.255 0.00 0.00 +0.132 A ATOM 8 C LIG 1 -4.852 1.290 -0.296 0.00 0.00 +0.091 A ATOM 9 C LIG 1 -3.667 0.576 -0.524 0.00 0.00 +0.060 A ATOM 10 C LIG 1 -1.254 3.067 0.771 0.00 0.00 +0.076 A ENDROOT BRANCH 2 11 ATOM 11 N LIG 1 1.291 0.544 -0.095 0.00 0.00 -0.279 N ATOM 12 H LIG 1 2.056 1.128 0.228 0.00 0.00 +0.155 HD ATOM 13 C LIG 1 1.597 -0.651 -0.698 0.00 0.00 +0.241 C ATOM 14 O LIG 1 0.828 -1.401 -1.287 0.00 0.00 -0.271 OA BRANCH 13 15 ATOM 15 C LIG 1 3.046 -0.990 -0.674 0.00 0.00 +0.064 C ATOM 16 C LIG 1 3.857 -0.751 0.370 0.00 0.00 -0.007 C BRANCH 16 17 ATOM 17 C LIG 1 5.318 -1.076 0.542 0.00 0.00 +0.111 C BRANCH 17 18 ATOM 18 N LIG 1 6.088 -1.727 -0.508 0.00 0.00 -0.305 NA ATOM 19 C LIG 1 5.722 -3.111 -0.768 0.00 0.00 +0.104 C ATOM 20 C LIG 1 6.277 -0.939 -1.714 0.00 0.00 +0.104 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 15 ENDBRANCH 2 11 BRANCH 8 21 ATOM 21 C LIG 1 -6.145 0.782 -0.635 0.00 0.00 +0.103 C ATOM 22 N LIG 1 -7.216 0.412 -0.888 0.00 0.00 -0.191 NA ENDBRANCH 8 21 BRANCH 9 23 ATOM 23 N LIG 1 -3.719 -0.741 -1.063 0.00 0.00 -0.313 N ATOM 24 H LIG 1 -2.971 -0.903 -1.738 0.00 0.00 +0.152 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.985 -1.931 -0.337 0.00 0.00 +0.033 A ATOM 26 C LIG 1 -3.901 -3.159 -1.014 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -4.210 -4.355 -0.362 0.00 0.00 +0.078 A ATOM 28 CL LIG 1 -4.081 -5.843 -1.218 0.00 0.00 -0.081 Cl ATOM 29 C LIG 1 -4.624 -4.333 0.966 0.00 0.00 +0.142 A ATOM 30 F LIG 1 -4.925 -5.469 1.611 0.00 0.00 -0.204 F ATOM 31 C LIG 1 -4.737 -3.127 1.646 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -4.428 -1.930 0.994 0.00 0.00 +0.026 A ENDBRANCH 23 25 ENDBRANCH 9 23 BRANCH 1 33 ATOM 33 O LIG 1 1.200 2.965 0.948 0.00 0.00 -0.490 OA BRANCH 33 35 ATOM 34 C LIG 1 1.294 5.367 0.621 0.00 0.00 +0.048 C ATOM 35 C LIG 1 1.250 4.224 1.620 0.00 0.00 +0.226 C ENDBRANCH 33 35 ENDBRANCH 1 33 TORSDOF 9